2-propylheptan-1-amine

C10H23N — CID 21267775

IUPAC2-propylheptan-1-amine
SMILESCCCCCC(CN)CCC
InChIInChI=1S/C10H23N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-9,11H2,1-2H3
InChIKeySSOBBNSVCWLYPH-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.94
Rot. Bonds7

About 2-propylheptan-1-amine

2-propylheptan-1-amine (PubChem CID 21267775) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 2-propylheptan-1-amine.

Molecular Properties

Compound Name2-propylheptan-1-amine
PubChem CID21267775
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name2-propylheptan-1-amine
SMILESCCCCCC(CN)CCC
InChIInChI=1S/C10H23N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-9,11H2,1-2H3
InChIKeySSOBBNSVCWLYPH-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
2-butylhexan-1-amine
CID 54041151
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
2-(fluoromethyl)henicosan-1-amine
CID 175054402

Frequently Asked Questions

What is the IUPAC name of 2-propylheptan-1-amine?
The IUPAC name of 2-propylheptan-1-amine (CID 21267775) is 2-propylheptan-1-amine.
What is the SMILES notation for 2-propylheptan-1-amine?
The canonical SMILES for 2-propylheptan-1-amine is CCCCCC(CN)CCC.
What is the InChIKey of 2-propylheptan-1-amine?
The InChIKey is SSOBBNSVCWLYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-propylheptan-1-amine?
2-propylheptan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylheptan-1-amine is sourced from PubChem (CID 21267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).