2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

C13H30N2O — CID 81059317

IUPAC2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCC(C)OCCN(C)C(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)16-8-7-15(6)12(10-14)9-13(3,4)5/h11-12H,7-10,14H2,1-6H3
InChIKeyVTOIDYXQHHDUBN-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.11
Rot. Bonds7

About 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine

2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (PubChem CID 81059317) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
PubChem CID81059317
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
SMILESCC(C)OCCN(C)C(CN)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)16-8-7-15(6)12(10-14)9-13(3,4)5/h11-12H,7-10,14H2,1-6H3
InChIKeyVTOIDYXQHHDUBN-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N,4,4-tetramethylpentane-1,2-diamine
CID 62950039
4-amino-N-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide
CID 81058816
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62951717
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine
CID 62949484
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096

Frequently Asked Questions

What is the IUPAC name of 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine (CID 81059317) is 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is CC(C)OCCN(C)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
The InChIKey is VTOIDYXQHHDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)16-8-7-15(6)12(10-14)9-13(3,4)5/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine?
2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine is sourced from PubChem (CID 81059317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).