1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine

C17H38N2 — CID 79089113

IUPAC1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
SMILESCCCCCCCCCCC(CN(C)C)NCCC
InChIInChI=1S/C17H38N2/c1-5-7-8-9-10-11-12-13-14-17(16-19(3)4)18-15-6-2/h17-18H,5-16H2,1-4H3
InChIKeyCKJBRUVYHPEWCS-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.45
Rot. Bonds14

About 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine

1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine (PubChem CID 79089113) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
PubChem CID79089113
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
SMILESCCCCCCCCCCC(CN(C)C)NCCC
InChIInChI=1S/C17H38N2/c1-5-7-8-9-10-11-12-13-14-17(16-19(3)4)18-15-6-2/h17-18H,5-16H2,1-4H3
InChIKeyCKJBRUVYHPEWCS-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.45
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

2-N-ethyl-1-N,1-N-dimethylnonane-1,2-diamine
CID 79092822
2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
CID 102401711
2-N-ethyl-1-N,1-N-dimethylhexane-1,2-diamine
CID 79092726
1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484
3-(propylamino)dodecan-1-ol
CID 114078400
N-propyldodec-1-yn-4-amine
CID 114977040
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
N-tridecylpentadecan-3-amine
CID 88820168

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine (CID 79089113) is 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine is CCCCCCCCCCC(CN(C)C)NCCC.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine?
The InChIKey is CKJBRUVYHPEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-5-7-8-9-10-11-12-13-14-17(16-19(3)4)18-15-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine?
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.45, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine is sourced from PubChem (CID 79089113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).