N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine

C18H39NO — CID 130426441

IUPACN-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NC(C)COC
InChIInChI=1S/C18H39NO/c1-6-8-10-12-14-18(4,15-13-11-9-7-2)19-17(3)16-20-5/h17,19H,6-16H2,1-5H3
InChIKeyBEMDNCGJLOXLQM-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds14

About N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine

N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine (PubChem CID 130426441) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
PubChem CID130426441
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NC(C)COC
InChIInChI=1S/C18H39NO/c1-6-8-10-12-14-18(4,15-13-11-9-7-2)19-17(3)16-20-5/h17,19H,6-16H2,1-5H3
InChIKeyBEMDNCGJLOXLQM-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
CID 134402382
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
1-(2,2-dimethylheptyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115687356
7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
CID 134218296
2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 62539904
methyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557745
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
6-methyltridecan-6-ylhydrazine
CID 139378233

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine (CID 130426441) is N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine is CCCCCCC(C)(CCCCCC)NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine?
The InChIKey is BEMDNCGJLOXLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-6-8-10-12-14-18(4,15-13-11-9-7-2)19-17(3)16-20-5/h17,19H,6-16H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine?
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine is sourced from PubChem (CID 130426441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).