N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine

C17H29N3O — CID 65070997

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCC(c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H29N3O/c1-19-9-4-6-15(8-12-19)18-14-16(17-7-5-13-21-17)20-10-2-3-11-20/h5,7,13,15-16,18H,2-4,6,8-12,14H2,1H3
InChIKeyXIIMMWXYRPHOFP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine (PubChem CID 65070997) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
PubChem CID65070997
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCC(c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H29N3O/c1-19-9-4-6-15(8-12-19)18-14-16(17-7-5-13-21-17)20-10-2-3-11-20/h5,7,13,15-16,18H,2-4,6,8-12,14H2,1H3
InChIKeyXIIMMWXYRPHOFP-UHFFFAOYSA-N
XLogP2.49
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrolidin-3-amine
CID 62975040
1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 43181238
4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195
1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 84587836
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
1-(furan-2-yl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910521
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxycyclobutan-1-amine
CID 104870773
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine (CID 65070997) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine is CN1CCCC(NCC(c2ccco2)N2CCCC2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine?
The InChIKey is XIIMMWXYRPHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-9-4-6-15(8-12-19)18-14-16(17-7-5-13-21-17)20-10-2-3-11-20/h5,7,13,15-16,18H,2-4,6,8-12,14H2,1H3.
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).