2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine

C13H30N2 — CID 62007587

IUPAC2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCC(C)C)C(C)(CC)CN
InChIInChI=1S/C13H30N2/c1-6-9-15(10-8-12(3)4)13(5,7-2)11-14/h12H,6-11,14H2,1-5H3
InChIKeyFOBPJFKXMSOKBS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds8

About 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine

2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine (PubChem CID 62007587) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
PubChem CID62007587
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCC(C)C)C(C)(CC)CN
InChIInChI=1S/C13H30N2/c1-6-9-15(10-8-12(3)4)13(5,7-2)11-14/h12H,6-11,14H2,1-5H3
InChIKeyFOBPJFKXMSOKBS-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
CID 63891389
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine (CID 62007587) is 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine is CCCN(CCC(C)C)C(C)(CC)CN.
What is the InChIKey of 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is FOBPJFKXMSOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-15(10-8-12(3)4)13(5,7-2)11-14/h12H,6-11,14H2,1-5H3.
What are the key properties of 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine?
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62007587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).