N-(pyrrolidin-2-ylmethyl)hexan-3-amine

C11H24N2 — CID 106638277

IUPACN-(pyrrolidin-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1CCCN1
InChIInChI=1S/C11H24N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h10-13H,3-9H2,1-2H3
InChIKeyDWGWLHILGADYAG-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.91
Rot. Bonds6

About N-(pyrrolidin-2-ylmethyl)hexan-3-amine

N-(pyrrolidin-2-ylmethyl)hexan-3-amine (PubChem CID 106638277) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)hexan-3-amine
PubChem CID106638277
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-(pyrrolidin-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1CCCN1
InChIInChI=1S/C11H24N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h10-13H,3-9H2,1-2H3
InChIKeyDWGWLHILGADYAG-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144
N-(piperidin-2-ylmethyl)hexan-2-amine
CID 62199509
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
4-methyl-N-(piperidin-2-ylmethyl)hexan-2-amine
CID 106634056
1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106638615
4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
CID 106156720
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
1-(azacyclododec-2-yl)-N-(azecan-2-ylmethyl)hexan-1-amine
CID 155378211
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
1-(azonan-2-yl)-N-(azonan-2-ylmethyl)octan-1-amine
CID 167239993
2-ethyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 106632956

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)hexan-3-amine (CID 106638277) is N-(pyrrolidin-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)hexan-3-amine is CCCC(CC)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The InChIKey is DWGWLHILGADYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-6-10(4-2)13-9-11-7-5-8-12-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
N-(pyrrolidin-2-ylmethyl)hexan-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)hexan-3-amine is sourced from PubChem (CID 106638277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).