(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine

C19H41NSi — CID 101252606

IUPAC(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
SMILESC=C(C[C@@H](N)CCCCCCCCCCC)C[Si](C)(C)C
InChIInChI=1S/C19H41NSi/c1-6-7-8-9-10-11-12-13-14-15-19(20)16-18(2)17-21(3,4)5/h19H,2,6-17,20H2,1,3-5H3/t19-/m0/s1
InChIKeyUBGXALJHKDMGBN-IBGZPJMESA-N
MW311.63 g/mol
LogP6.52
Rot. Bonds14

About (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine

(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine (PubChem CID 101252606) has the molecular formula C19H41NSi and a molecular weight of 311.63 g/mol. Its IUPAC name is (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine.

Molecular Properties

Compound Name(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
PubChem CID101252606
Molecular FormulaC19H41NSi
Molecular Weight311.63 g/mol
Exact Mass311.30
IUPAC Name(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine
SMILESC=C(C[C@@H](N)CCCCCCCCCCC)C[Si](C)(C)C
InChIInChI=1S/C19H41NSi/c1-6-7-8-9-10-11-12-13-14-15-19(20)16-18(2)17-21(3,4)5/h19H,2,6-17,20H2,1,3-5H3/t19-/m0/s1
InChIKeyUBGXALJHKDMGBN-IBGZPJMESA-N
XLogP6.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.63
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-methylidenetricosan-9-amine
CID 129036120
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
3-aminononanoic acid
CID 2832746
3-aminoundecanamide
CID 154005326
1-aminohexadecan-1-ol
CID 21475561
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
3-aminodocosane-1,1-diol
CID 141352297
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
sodium;3-aminohenicosanoic acid;hydride
CID 175144455

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine?
The IUPAC name of (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine (CID 101252606) is (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine.
What is the SMILES notation for (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine?
The canonical SMILES for (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine is C=C(C[C@@H](N)CCCCCCCCCCC)C[Si](C)(C)C.
What is the InChIKey of (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine?
The InChIKey is UBGXALJHKDMGBN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H41NSi/c1-6-7-8-9-10-11-12-13-14-15-19(20)16-18(2)17-21(3,4)5/h19H,2,6-17,20H2,1,3-5H3/t19-/m0/s1.
What are the key properties of (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine?
(4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine has a molecular weight of 311.63 g/mol, XLogP of 6.52, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(trimethylsilylmethyl)pentadec-1-en-4-amine is sourced from PubChem (CID 101252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).