2-methoxy-2-methyl-N-propylundecan-4-amine

C16H35NO — CID 103025043

IUPAC2-methoxy-2-methyl-N-propylundecan-4-amine
SMILESCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C16H35NO/c1-6-8-9-10-11-12-15(17-13-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3
InChIKeyKXCCVTOVRLPPGU-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds12

About 2-methoxy-2-methyl-N-propylundecan-4-amine

2-methoxy-2-methyl-N-propylundecan-4-amine (PubChem CID 103025043) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propylundecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propylundecan-4-amine
PubChem CID103025043
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-methoxy-2-methyl-N-propylundecan-4-amine
SMILESCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C16H35NO/c1-6-8-9-10-11-12-15(17-13-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3
InChIKeyKXCCVTOVRLPPGU-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
1-methoxy-N-propyldodecan-4-amine
CID 65091880
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
(2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025232
2,2,3-trimethyl-N-propyldodecan-5-amine
CID 115832322
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
N-ethyl-2,2-dimethylhexadecan-4-amine
CID 63891733
3-(propylamino)dodecan-1-ol
CID 114078400
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-propylundecan-4-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propylundecan-4-amine (CID 103025043) is 2-methoxy-2-methyl-N-propylundecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propylundecan-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propylundecan-4-amine is CCCCCCCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-N-propylundecan-4-amine?
The InChIKey is KXCCVTOVRLPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-8-9-10-11-12-15(17-13-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propylundecan-4-amine?
2-methoxy-2-methyl-N-propylundecan-4-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propylundecan-4-amine is sourced from PubChem (CID 103025043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).