1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine

C11H26N2 — CID 61168462

IUPAC1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-6-9(2)10(12)7-13-8-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyAGWBJUPCRYJMDV-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.00
Rot. Bonds5

About 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine

1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine (PubChem CID 61168462) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
PubChem CID61168462
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-6-9(2)10(12)7-13-8-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyAGWBJUPCRYJMDV-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
CID 61150629
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
N-(2,2-dimethylpropyl)-N',2-dimethylpropane-1,3-diamine
CID 79201734
3,6,6-trimethyloctan-4-amine
CID 89008923
(2S,3S)-1-N-(3,5-dimethylphenyl)-3-methylpentane-1,2-diamine
CID 71019513
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine (CID 61168462) is 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine is CCC(C)C(N)CNCC(C)(C)C.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine?
The InChIKey is AGWBJUPCRYJMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-9(2)10(12)7-13-8-11(3,4)5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine?
1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 61168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).