4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

C13H30N2 — CID 62424956

IUPAC4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCCCN(C)C(C)CCCNC(C)C
InChIInChI=1S/C13H30N2/c1-6-7-11-15(5)13(4)9-8-10-14-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyLOGDBRISHCXEKN-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds9

About 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62424956) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID62424956
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCCCN(C)C(C)CCCNC(C)C
InChIInChI=1S/C13H30N2/c1-6-7-11-15(5)13(4)9-8-10-14-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyLOGDBRISHCXEKN-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
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

4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 81067945
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N-propan-2-ylicosan-1-amine
CID 87246132
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
3-N-methyl-3-N-(2-methylsulfanylethyl)-1-N-propan-2-ylbutane-1,3-diamine
CID 112665568

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (CID 62424956) is 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is CCCCN(C)C(C)CCCNC(C)C.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is LOGDBRISHCXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-7-11-15(5)13(4)9-8-10-14-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62424956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).