10-amino-9-methyloctadecan-9-ol

C19H41NO — CID 139722361

IUPAC10-amino-9-methyloctadecan-9-ol
SMILESCCCCCCCCC(N)C(C)(O)CCCCCCCC
InChIInChI=1S/C19H41NO/c1-4-6-8-10-12-14-16-18(20)19(3,21)17-15-13-11-9-7-5-2/h18,21H,4-17,20H2,1-3H3
InChIKeyILGLGIWKLTXQFD-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.57
Rot. Bonds15

About 10-amino-9-methyloctadecan-9-ol

10-amino-9-methyloctadecan-9-ol (PubChem CID 139722361) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 10-amino-9-methyloctadecan-9-ol.

Molecular Properties

Compound Name10-amino-9-methyloctadecan-9-ol
PubChem CID139722361
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name10-amino-9-methyloctadecan-9-ol
SMILESCCCCCCCCC(N)C(C)(O)CCCCCCCC
InChIInChI=1S/C19H41NO/c1-4-6-8-10-12-14-16-18(20)19(3,21)17-15-13-11-9-7-5-2/h18,21H,4-17,20H2,1-3H3
InChIKeyILGLGIWKLTXQFD-UHFFFAOYSA-N
XLogP5.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 9857993
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CID 9967180
1-(Aminomethyl)cycloundecan-1-ol
CID 44272311
(4S,5R)-4-amino-2-methylicosan-5-ol
CID 118735809
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
1-Amino-2-methyloctan-2-ol
CID 11073711
Cyclododecanol, 1-aminomethyl-
CID 533851
3-Aethyl-6-methyl-4-aminoheptanol-3
CID 12379465
1-(1-Aminoethyl)cyclohexan-1-ol
CID 13585932
Ethyloctyl monoethanolamine
CID 81873207
Diisopropylethalamine
CID 129869718

Frequently Asked Questions

What is the IUPAC name of 10-amino-9-methyloctadecan-9-ol?
The IUPAC name of 10-amino-9-methyloctadecan-9-ol (CID 139722361) is 10-amino-9-methyloctadecan-9-ol.
What is the SMILES notation for 10-amino-9-methyloctadecan-9-ol?
The canonical SMILES for 10-amino-9-methyloctadecan-9-ol is CCCCCCCCC(N)C(C)(O)CCCCCCCC.
What is the InChIKey of 10-amino-9-methyloctadecan-9-ol?
The InChIKey is ILGLGIWKLTXQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-4-6-8-10-12-14-16-18(20)19(3,21)17-15-13-11-9-7-5-2/h18,21H,4-17,20H2,1-3H3.
What are the key properties of 10-amino-9-methyloctadecan-9-ol?
10-amino-9-methyloctadecan-9-ol has a molecular weight of 299.54 g/mol, XLogP of 5.57, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-9-methyloctadecan-9-ol is sourced from PubChem (CID 139722361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).