1-methoxy-N-propyldodecan-4-amine

C16H35NO — CID 65091880

IUPAC1-methoxy-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CCCOC)NCCC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-12-16(17-14-5-2)13-11-15-18-3/h16-17H,4-15H2,1-3H3
InChIKeyYNPFBXNMSPTYDN-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds14

About 1-methoxy-N-propyldodecan-4-amine

1-methoxy-N-propyldodecan-4-amine (PubChem CID 65091880) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 1-methoxy-N-propyldodecan-4-amine.

Molecular Properties

Compound Name1-methoxy-N-propyldodecan-4-amine
PubChem CID65091880
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name1-methoxy-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CCCOC)NCCC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-12-16(17-14-5-2)13-11-15-18-3/h16-17H,4-15H2,1-3H3
InChIKeyYNPFBXNMSPTYDN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
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

N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-methoxyhexadecan-4-ylhydrazine
CID 105224978
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
3-(propylamino)dodecan-1-ol
CID 114078400
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
N-ethyl-10-methoxydecan-4-amine
CID 104650043
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-propyldodecan-4-amine?
The IUPAC name of 1-methoxy-N-propyldodecan-4-amine (CID 65091880) is 1-methoxy-N-propyldodecan-4-amine.
What is the SMILES notation for 1-methoxy-N-propyldodecan-4-amine?
The canonical SMILES for 1-methoxy-N-propyldodecan-4-amine is CCCCCCCCC(CCCOC)NCCC.
What is the InChIKey of 1-methoxy-N-propyldodecan-4-amine?
The InChIKey is YNPFBXNMSPTYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-6-7-8-9-10-12-16(17-14-5-2)13-11-15-18-3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-methoxy-N-propyldodecan-4-amine?
1-methoxy-N-propyldodecan-4-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-propyldodecan-4-amine is sourced from PubChem (CID 65091880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).