N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine

C17H33N3 — CID 65073267

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-19-10-3-4-16(8-11-19)18-13-15-7-12-20(14-15)17-5-6-17/h15-18H,2-14H2,1H3
InChIKeyONZGTFALTIAYJF-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine (PubChem CID 65073267) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
PubChem CID65073267
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCC2CCN(C3CC3)C2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-19-10-3-4-16(8-11-19)18-13-15-7-12-20(14-15)17-5-6-17/h15-18H,2-14H2,1H3
InChIKeyONZGTFALTIAYJF-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
N-(cyclohex-3-en-1-ylmethyl)-1-propylazepan-4-amine
CID 65073738
3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
CID 106120879
N-[[1-(3-methylcyclopentyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 114546859
N-methyl-1-propylazepan-4-amine
CID 65072873
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
1-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79458392
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 64623574
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81297545
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
CID 155891929
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-[[1-(3-ethylcyclohexyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64741079

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine (CID 65073267) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine is CCCN1CCCC(NCC2CCN(C3CC3)C2)CC1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine?
The InChIKey is ONZGTFALTIAYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-9-19-10-3-4-16(8-11-19)18-13-15-7-12-20(14-15)17-5-6-17/h15-18H,2-14H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-propylazepan-4-amine is sourced from PubChem (CID 65073267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).