N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine

C19H41N — CID 134402382

IUPACN-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
SMILESCCCCCCCC(C)(CCCCCC)N[C@@H](C)CC
InChIInChI=1S/C19H41N/c1-6-9-11-13-15-17-19(5,20-18(4)8-3)16-14-12-10-7-2/h18,20H,6-17H2,1-5H3/t18-,19?/m0/s1
InChIKeyUGTICXRNNNWNNP-OYKVQYDMSA-N
MW283.54 g/mol
LogP6.46
Rot. Bonds14

About N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine

N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine (PubChem CID 134402382) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
PubChem CID134402382
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
SMILESCCCCCCCC(C)(CCCCCC)N[C@@H](C)CC
InChIInChI=1S/C19H41N/c1-6-9-11-13-15-17-19(5,20-18(4)8-3)16-14-12-10-7-2/h18,20H,6-17H2,1-5H3/t18-,19?/m0/s1
InChIKeyUGTICXRNNNWNNP-OYKVQYDMSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.46
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

N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
CID 134218296
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
methyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557745
N-ethyl-7-methyltetradecan-7-amine
CID 593697
8-methylpentadecan-8-ylhydrazine
CID 130446175
6-methyltridecan-6-ylhydrazine
CID 139378233
ethyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557803
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,3,3-trimethyloctadecane
CID 90966938
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine (CID 134402382) is N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine is CCCCCCCC(C)(CCCCCC)N[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine?
The InChIKey is UGTICXRNNNWNNP-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H41N/c1-6-9-11-13-15-17-19(5,20-18(4)8-3)16-14-12-10-7-2/h18,20H,6-17H2,1-5H3/t18-,19?/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine?
N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine has a molecular weight of 283.54 g/mol, XLogP of 6.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine is sourced from PubChem (CID 134402382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).