2-N-dodecyl-3-methylbutane-1,2-diamine

C17H38N2 — CID 106345395

IUPAC2-N-dodecyl-3-methylbutane-1,2-diamine
SMILESCCCCCCCCCCCCNC(CN)C(C)C
InChIInChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(15-18)16(2)3/h16-17,19H,4-15,18H2,1-3H3
InChIKeyWCNOKNSOBOBWLG-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.48
Rot. Bonds14

About 2-N-dodecyl-3-methylbutane-1,2-diamine

2-N-dodecyl-3-methylbutane-1,2-diamine (PubChem CID 106345395) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-N-dodecyl-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-dodecyl-3-methylbutane-1,2-diamine
PubChem CID106345395
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name2-N-dodecyl-3-methylbutane-1,2-diamine
SMILESCCCCCCCCCCCCNC(CN)C(C)C
InChIInChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(15-18)16(2)3/h16-17,19H,4-15,18H2,1-3H3
InChIKeyWCNOKNSOBOBWLG-UHFFFAOYSA-N
XLogP4.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
(2S)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
1-N'-decylethane-1,1,2-triamine
CID 57125344
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
1-N'-nonylethane-1,1-diamine
CID 141374358
N-propan-2-ylicosan-1-amine
CID 87246132
2-amino-1-(pentylamino)ethanol
CID 88684452
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N"-octylmethanetriamine
CID 139788026
1-N'-pentylethane-1,1-diamine
CID 87708859

Frequently Asked Questions

What is the IUPAC name of 2-N-dodecyl-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-dodecyl-3-methylbutane-1,2-diamine (CID 106345395) is 2-N-dodecyl-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-dodecyl-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-dodecyl-3-methylbutane-1,2-diamine is CCCCCCCCCCCCNC(CN)C(C)C.
What is the InChIKey of 2-N-dodecyl-3-methylbutane-1,2-diamine?
The InChIKey is WCNOKNSOBOBWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(15-18)16(2)3/h16-17,19H,4-15,18H2,1-3H3.
What are the key properties of 2-N-dodecyl-3-methylbutane-1,2-diamine?
2-N-dodecyl-3-methylbutane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.48, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dodecyl-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106345395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).