1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine

C15H26N2O — CID 79415031

IUPAC1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
SMILESCc1occc1CN(C)C(C)C(C)CNC1CC1
InChIInChI=1S/C15H26N2O/c1-11(9-16-15-5-6-15)12(2)17(4)10-14-7-8-18-13(14)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3
InChIKeyFJVNSKGOOKCHJM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds7

About 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine

1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine (PubChem CID 79415031) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
PubChem CID79415031
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine
SMILESCc1occc1CN(C)C(C)C(C)CNC1CC1
InChIInChI=1S/C15H26N2O/c1-11(9-16-15-5-6-15)12(2)17(4)10-14-7-8-18-13(14)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3
InChIKeyFJVNSKGOOKCHJM-UHFFFAOYSA-N
XLogP2.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392227
3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79409590
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79408757
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 79409399
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]-1-N-propylbutane-1,3-diamine
CID 55069522
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524
1-N-ethyl-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]pentane-1,4-diamine
CID 62411483
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine (CID 79415031) is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine is Cc1occc1CN(C)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine?
The InChIKey is FJVNSKGOOKCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(9-16-15-5-6-15)12(2)17(4)10-14-7-8-18-13(14)3/h7-8,11-12,15-16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine?
1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-[(2-methylfuran-3-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 79415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).