2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine

C13H30N2 — CID 79811282

IUPAC2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCCCCN(CC(C)(N)CC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-8-9-10-15(12(3)4)11-13(5,14)7-2/h12H,6-11,14H2,1-5H3
InChIKeyGENGDWHQHCQHCM-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.01
Rot. Bonds8

About 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine

2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 79811282) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID79811282
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCCCCN(CC(C)(N)CC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-8-9-10-15(12(3)4)11-13(5,14)7-2/h12H,6-11,14H2,1-5H3
InChIKeyGENGDWHQHCQHCM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 82951758
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
CID 62276624
2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259798
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82951944
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine (CID 79811282) is 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine is CCCCCN(CC(C)(N)CC)C(C)C.
What is the InChIKey of 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is GENGDWHQHCQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-8-9-10-15(12(3)4)11-13(5,14)7-2/h12H,6-11,14H2,1-5H3.
What are the key properties of 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 79811282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).