(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol

C20H15NO — CID 58743313

IUPAC(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/t19-,20-/m0/s1
InChIKeyBJHKNYKLIAPAHD-PMACEKPBSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds3

About (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol

(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol (PubChem CID 58743313) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol
PubChem CID58743313
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/t19-,20-/m0/s1
InChIKeyBJHKNYKLIAPAHD-PMACEKPBSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol?
The IUPAC name of (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol (CID 58743313) is (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol.
What is the SMILES notation for (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol?
The canonical SMILES for (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C[C@H](O)[C@@H](N)C(C)C.
What is the InChIKey of (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol?
The InChIKey is BJHKNYKLIAPAHD-PMACEKPBSA-N. The full InChI is InChI=1S/C20H15NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(21)18(2)3/h17-20,22H,1,21H2,2-3H3/t19-,20-/m0/s1.
What are the key properties of (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol?
(3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol has a molecular weight of 285.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-2-methylnonadeca-5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecaen-4-ol is sourced from PubChem (CID 58743313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).