N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine

C18H29N3 — CID 65070074

IUPACN-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
SMILESCN1CCCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-5-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyWVGGSENVOPDTAJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine

N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine (PubChem CID 65070074) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
PubChem CID65070074
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
SMILESCN1CCCC(NC2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-5-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3
InChIKeyWVGGSENVOPDTAJ-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752309
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine (CID 65070074) is N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine is CN1CCCC(NC2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine?
The InChIKey is WVGGSENVOPDTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-11-5-8-17(9-12-20)19-18-10-13-21(15-18)14-16-6-3-2-4-7-16/h2-4,6-7,17-19H,5,8-15H2,1H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine?
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine is sourced from PubChem (CID 65070074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).