2-N-dodecyl-2-N-methylpropane-1,2-diamine

C16H36N2 — CID 104556816

IUPAC2-N-dodecyl-2-N-methylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(C)C(C)CN
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15,17H2,1-3H3
InChIKeyUNUVNFGVFMJALB-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.19
Rot. Bonds13

About 2-N-dodecyl-2-N-methylpropane-1,2-diamine

2-N-dodecyl-2-N-methylpropane-1,2-diamine (PubChem CID 104556816) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-dodecyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-dodecyl-2-N-methylpropane-1,2-diamine
PubChem CID104556816
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-dodecyl-2-N-methylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(C)C(C)CN
InChIInChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15,17H2,1-3H3
InChIKeyUNUVNFGVFMJALB-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.19
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-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212

Frequently Asked Questions

What is the IUPAC name of 2-N-dodecyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-dodecyl-2-N-methylpropane-1,2-diamine (CID 104556816) is 2-N-dodecyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-dodecyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-dodecyl-2-N-methylpropane-1,2-diamine is CCCCCCCCCCCCN(C)C(C)CN.
What is the InChIKey of 2-N-dodecyl-2-N-methylpropane-1,2-diamine?
The InChIKey is UNUVNFGVFMJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(2)15-17/h16H,4-15,17H2,1-3H3.
What are the key properties of 2-N-dodecyl-2-N-methylpropane-1,2-diamine?
2-N-dodecyl-2-N-methylpropane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.19, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dodecyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 104556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).