1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine

C11H26N2 — CID 123552259

IUPAC1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)CC(C)N(C)C
InChIInChI=1S/C11H26N2/c1-6-7-8-9-13(5)10-11(2)12(3)4/h11H,6-10H2,1-5H3
InChIKeyICVUVNQYJXPUKF-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.06
Rot. Bonds7

About 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine

1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine (PubChem CID 123552259) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
PubChem CID123552259
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)CC(C)N(C)C
InChIInChI=1S/C11H26N2/c1-6-7-8-9-13(5)10-11(2)12(3)4/h11H,6-10H2,1-5H3
InChIKeyICVUVNQYJXPUKF-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
2-methyl-3-[methyl(pentyl)amino]propanenitrile
CID 43294879
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine (CID 123552259) is 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine is CCCCCN(C)CC(C)N(C)C.
What is the InChIKey of 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine?
The InChIKey is ICVUVNQYJXPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-7-8-9-13(5)10-11(2)12(3)4/h11H,6-10H2,1-5H3.
What are the key properties of 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine?
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 123552259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).