10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine

C23H48N2 — CID 123366756

IUPAC10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine
SMILES[H]/N=C(\CCC(C)(C)C)CC(CCC)CCCCC(C)CCNC(C)C
InChIInChI=1S/C23H48N2/c1-8-11-21(18-22(24)14-16-23(5,6)7)13-10-9-12-20(4)15-17-25-19(2)3/h19-21,24-25H,8-18H2,1-7H3/b24-22+
InChIKeyQTCYFEPFHJAADU-ZNTNEXAZSA-N
MW352.65 g/mol
LogP7.22
Rot. Bonds15

About 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine

10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine (PubChem CID 123366756) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine.

Molecular Properties

Compound Name10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine
PubChem CID123366756
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine
SMILES[H]/N=C(\CCC(C)(C)C)CC(CCC)CCCCC(C)CCNC(C)C
InChIInChI=1S/C23H48N2/c1-8-11-21(18-22(24)14-16-23(5,6)7)13-10-9-12-20(4)15-17-25-19(2)3/h19-21,24-25H,8-18H2,1-7H3/b24-22+
InChIKeyQTCYFEPFHJAADU-ZNTNEXAZSA-N
XLogP7.22
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-propan-2-ylnonan-1-amine
CID 81019995
9-ethyl-2,2,6,11-tetramethyltetradecane
CID 123159267
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
2,2,7-trimethylundecane
CID 57491501
4-imino-2-methylheptan-1-ol
CID 175272067
2,2,5-trimethyldodecane
CID 54169953
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
10-methyl-6,15-dipropylicosane
CID 144641599
N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
(3S,10S,13S)-13-ethyl-3,10-dimethylhexadecan-3-ol
CID 155226811
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
5-methyloctanimidamide
CID 54213893

Frequently Asked Questions

What is the IUPAC name of 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine?
The IUPAC name of 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine (CID 123366756) is 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine.
What is the SMILES notation for 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine?
The canonical SMILES for 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine is [H]/N=C(\CCC(C)(C)C)CC(CCC)CCCCC(C)CCNC(C)C.
What is the InChIKey of 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine?
The InChIKey is QTCYFEPFHJAADU-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H48N2/c1-8-11-21(18-22(24)14-16-23(5,6)7)13-10-9-12-20(4)15-17-25-19(2)3/h19-21,24-25H,8-18H2,1-7H3/b24-22+.
What are the key properties of 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine?
10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine has a molecular weight of 352.65 g/mol, XLogP of 7.22, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-3,13,13-trimethyl-N-propan-2-yl-8-propyltetradecan-1-amine is sourced from PubChem (CID 123366756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).