N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C16H29N3O — CID 62436711

IUPACN'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1occc1CNC1CC1
InChIInChI=1S/C16H29N3O/c1-4-8-19(10-9-18(2)3)13-16-14(7-11-20-16)12-17-15-5-6-15/h7,11,15,17H,4-6,8-10,12-13H2,1-3H3
InChIKeyKQZPTXMXADQXNT-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.31
Rot. Bonds10

About N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62436711) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62436711
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1occc1CNC1CC1
InChIInChI=1S/C16H29N3O/c1-4-8-19(10-9-18(2)3)13-16-14(7-11-20-16)12-17-15-5-6-15/h7,11,15,17H,4-6,8-10,12-13H2,1-3H3
InChIKeyKQZPTXMXADQXNT-UHFFFAOYSA-N
XLogP2.31
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62435969
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411488
N-[[2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 103340346
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437066
N-[[2-[[butan-2-yl(2-methoxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462065
N-[[2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79311434
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62436711) is N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1occc1CNC1CC1.
What is the InChIKey of N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is KQZPTXMXADQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-8-19(10-9-18(2)3)13-16-14(7-11-20-16)12-17-15-5-6-15/h7,11,15,17H,4-6,8-10,12-13H2,1-3H3.
What are the key properties of N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62436711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).