N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine

C18H30N2 — CID 43220661

IUPACN-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccccc1N1CCCC1
InChIInChI=1S/C18H30N2/c1-3-4-5-10-16(2)19-15-17-11-6-7-12-18(17)20-13-8-9-14-20/h6-7,11-12,16,19H,3-5,8-10,13-15H2,1-2H3
InChIKeyZMCZXHXBUUQCFE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.35
Rot. Bonds8

About N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine

N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine (PubChem CID 43220661) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
PubChem CID43220661
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccccc1N1CCCC1
InChIInChI=1S/C18H30N2/c1-3-4-5-10-16(2)19-15-17-11-6-7-12-18(17)20-13-8-9-14-20/h6-7,11-12,16,19H,3-5,8-10,13-15H2,1-2H3
InChIKeyZMCZXHXBUUQCFE-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
CID 115644780
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine?
The IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine (CID 43220661) is N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine is CCCCCC(C)NCc1ccccc1N1CCCC1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine?
The InChIKey is ZMCZXHXBUUQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-5-10-16(2)19-15-17-11-6-7-12-18(17)20-13-8-9-14-20/h6-7,11-12,16,19H,3-5,8-10,13-15H2,1-2H3.
What are the key properties of N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine?
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine is sourced from PubChem (CID 43220661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).