N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

C16H27N3O — CID 62417298

IUPACN-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1CN1CCCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-13-14(10-16(20-13)11-17-15-4-5-15)12-19-7-3-6-18(2)8-9-19/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyJTYKVMLNVDJCIS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.98
Rot. Bonds5

About N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62417298) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62417298
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1CN1CCCN(C)CC1
InChIInChI=1S/C16H27N3O/c1-13-14(10-16(20-13)11-17-15-4-5-15)12-19-7-3-6-18(2)8-9-19/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyJTYKVMLNVDJCIS-UHFFFAOYSA-N
XLogP1.98
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62412420
N-[[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 63163389
N-[[4-[(3-ethoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62411045
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62413294
2-methyl-N-[[2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62417857
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[2-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62458955
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62436871

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62417298) is N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1CN1CCCN(C)CC1.
What is the InChIKey of N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is JTYKVMLNVDJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-14(10-16(20-13)11-17-15-4-5-15)12-19-7-3-6-18(2)8-9-19/h10,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62417298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).