2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine

C15H34N2 — CID 79491872

IUPAC2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H34N2/c1-7-10-15(6,16)12-17(11-13(4)5)14(8-2)9-3/h13-14H,7-12,16H2,1-6H3
InChIKeyHZYCFDVRWWEBPA-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.65
Rot. Bonds9

About 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine

2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine (PubChem CID 79491872) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
PubChem CID79491872
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H34N2/c1-7-10-15(6,16)12-17(11-13(4)5)14(8-2)9-3/h13-14H,7-12,16H2,1-6H3
InChIKeyHZYCFDVRWWEBPA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
CID 79490735
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82951944
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 79490308
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
3,6-dimethylheptan-3-amine;ethane
CID 156844908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine (CID 79491872) is 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine is CCCC(C)(N)CN(CC(C)C)C(CC)CC.
What is the InChIKey of 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine?
The InChIKey is HZYCFDVRWWEBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-10-15(6,16)12-17(11-13(4)5)14(8-2)9-3/h13-14H,7-12,16H2,1-6H3.
What are the key properties of 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine?
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine is sourced from PubChem (CID 79491872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).