N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine

C25H52N2 — CID 11589009

IUPACN-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C[C@@H]1CCCN1
InChIInChI=1S/C25H52N2/c1-3-5-7-9-11-13-15-17-22-27(24-25-20-19-21-26-25)23-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m0/s1
InChIKeyNIGVTNIZUPQTQO-VWLOTQADSA-N
MW380.71 g/mol
LogP7.32
Rot. Bonds20

About N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine

N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine (PubChem CID 11589009) has the molecular formula C25H52N2 and a molecular weight of 380.71 g/mol. Its IUPAC name is N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine.

Molecular Properties

Compound NameN-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine
PubChem CID11589009
Molecular FormulaC25H52N2
Molecular Weight380.71 g/mol
Exact Mass380.41
IUPAC NameN-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C[C@@H]1CCCN1
InChIInChI=1S/C25H52N2/c1-3-5-7-9-11-13-15-17-22-27(24-25-20-19-21-26-25)23-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m0/s1
InChIKeyNIGVTNIZUPQTQO-VWLOTQADSA-N
XLogP7.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 57.32
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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Frequently Asked Questions

What is the IUPAC name of N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine?
The IUPAC name of N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine (CID 11589009) is N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine.
What is the SMILES notation for N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine?
The canonical SMILES for N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine is CCCCCCCCCCN(CCCCCCCCCC)C[C@@H]1CCCN1.
What is the InChIKey of N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine?
The InChIKey is NIGVTNIZUPQTQO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H52N2/c1-3-5-7-9-11-13-15-17-22-27(24-25-20-19-21-26-25)23-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m0/s1.
What are the key properties of N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine?
N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine has a molecular weight of 380.71 g/mol, XLogP of 7.32, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-[[(2S)-pyrrolidin-2-yl]methyl]decan-1-amine is sourced from PubChem (CID 11589009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).