N'-(2,2-dimethylpropyl)ethane-1,2-diamine

C7H18N2 — CID 61168060

IUPACN'-(2,2-dimethylpropyl)ethane-1,2-diamine
SMILESCC(C)(C)CNCCN
InChIInChI=1S/C7H18N2/c1-7(2,3)6-9-5-4-8/h9H,4-6,8H2,1-3H3
InChIKeyHENUECXLPOQEJZ-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.58
Rot. Bonds3

About N'-(2,2-dimethylpropyl)ethane-1,2-diamine

N'-(2,2-dimethylpropyl)ethane-1,2-diamine (PubChem CID 61168060) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)ethane-1,2-diamine
PubChem CID61168060
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-(2,2-dimethylpropyl)ethane-1,2-diamine
SMILESCC(C)(C)CNCCN
InChIInChI=1S/C7H18N2/c1-7(2,3)6-9-5-4-8/h9H,4-6,8H2,1-3H3
InChIKeyHENUECXLPOQEJZ-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-propylpropan-1-amine
CID 551573
N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
CID 11007372
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
CID 18520345
CID 18520345
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61166306
N-(3-cyclopropylpropyl)-2,2-dimethylpropan-1-amine
CID 115639400
1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
CID 173290454
2-(2,2-dimethylpropylamino)ethanesulfonamide
CID 61326165
3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol
CID 102149017

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)ethane-1,2-diamine (CID 61168060) is N'-(2,2-dimethylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)ethane-1,2-diamine is CC(C)(C)CNCCN.
What is the InChIKey of N'-(2,2-dimethylpropyl)ethane-1,2-diamine?
The InChIKey is HENUECXLPOQEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-7(2,3)6-9-5-4-8/h9H,4-6,8H2,1-3H3.
What are the key properties of N'-(2,2-dimethylpropyl)ethane-1,2-diamine?
N'-(2,2-dimethylpropyl)ethane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 61168060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).