N-methyloctadecan-3-amine

C19H41N — CID 150460863

IUPACN-methyloctadecan-3-amine
SMILESCCCCCCCCCCCCCCCC(CC)NC
InChIInChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20-3/h19-20H,4-18H2,1-3H3
InChIKeyHPTFBPDYIPQERV-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.47
Rot. Bonds16

About N-methyloctadecan-3-amine

N-methyloctadecan-3-amine (PubChem CID 150460863) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-methyloctadecan-3-amine.

Molecular Properties

Compound NameN-methyloctadecan-3-amine
PubChem CID150460863
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-methyloctadecan-3-amine
SMILESCCCCCCCCCCCCCCCC(CC)NC
InChIInChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20-3/h19-20H,4-18H2,1-3H3
InChIKeyHPTFBPDYIPQERV-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.47
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-methyldecan-3-amine
CID 60996977
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methylundecan-4-amine
CID 60996531
N-methyl-6-octoxyhexan-3-amine
CID 106800853
2-(methylamino)hexadecan-1-ol
CID 118696061
N,3-dimethylundecan-5-amine
CID 115833416
3-(methylamino)nonan-1-ol
CID 65235222
6-butoxy-N-methylhexan-3-amine
CID 61483969
pentadecan-3-ylhydrazine
CID 105200968
N-ethylnonan-3-amine
CID 60996683
tridecan-3-ylhydrazine
CID 105201157

Frequently Asked Questions

What is the IUPAC name of N-methyloctadecan-3-amine?
The IUPAC name of N-methyloctadecan-3-amine (CID 150460863) is N-methyloctadecan-3-amine.
What is the SMILES notation for N-methyloctadecan-3-amine?
The canonical SMILES for N-methyloctadecan-3-amine is CCCCCCCCCCCCCCCC(CC)NC.
What is the InChIKey of N-methyloctadecan-3-amine?
The InChIKey is HPTFBPDYIPQERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20-3/h19-20H,4-18H2,1-3H3.
What are the key properties of N-methyloctadecan-3-amine?
N-methyloctadecan-3-amine has a molecular weight of 283.54 g/mol, XLogP of 6.47, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloctadecan-3-amine is sourced from PubChem (CID 150460863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).