5-butyl-6-propylheptadecan-5-amine

C24H51N — CID 22597070

IUPAC5-butyl-6-propylheptadecan-5-amine
SMILESCCCCCCCCCCCC(CCC)C(N)(CCCC)CCCC
InChIInChI=1S/C24H51N/c1-5-9-12-13-14-15-16-17-18-20-23(19-8-4)24(25,21-10-6-2)22-11-7-3/h23H,5-22,25H2,1-4H3
InChIKeyUTBXKDMQOPTYJP-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.40
Rot. Bonds19

About 5-butyl-6-propylheptadecan-5-amine

5-butyl-6-propylheptadecan-5-amine (PubChem CID 22597070) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 5-butyl-6-propylheptadecan-5-amine.

Molecular Properties

Compound Name5-butyl-6-propylheptadecan-5-amine
PubChem CID22597070
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name5-butyl-6-propylheptadecan-5-amine
SMILESCCCCCCCCCCCC(CCC)C(N)(CCCC)CCCC
InChIInChI=1S/C24H51N/c1-5-9-12-13-14-15-16-17-18-20-23(19-8-4)24(25,21-10-6-2)22-11-7-3/h23H,5-22,25H2,1-4H3
InChIKeyUTBXKDMQOPTYJP-UHFFFAOYSA-N
XLogP8.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.40
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

8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
5-butyl-6-prop-2-enylhenicosan-5-amine;5-butyl-6-prop-2-enylicosan-5-amine
CID 87990081

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-propylheptadecan-5-amine?
The IUPAC name of 5-butyl-6-propylheptadecan-5-amine (CID 22597070) is 5-butyl-6-propylheptadecan-5-amine.
What is the SMILES notation for 5-butyl-6-propylheptadecan-5-amine?
The canonical SMILES for 5-butyl-6-propylheptadecan-5-amine is CCCCCCCCCCCC(CCC)C(N)(CCCC)CCCC.
What is the InChIKey of 5-butyl-6-propylheptadecan-5-amine?
The InChIKey is UTBXKDMQOPTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-5-9-12-13-14-15-16-17-18-20-23(19-8-4)24(25,21-10-6-2)22-11-7-3/h23H,5-22,25H2,1-4H3.
What are the key properties of 5-butyl-6-propylheptadecan-5-amine?
5-butyl-6-propylheptadecan-5-amine has a molecular weight of 353.68 g/mol, XLogP of 8.40, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-propylheptadecan-5-amine is sourced from PubChem (CID 22597070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).