4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine

C13H28N2O — CID 106675705

IUPAC4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)CC1CC1C
InChIInChI=1S/C13H28N2O/c1-10-6-11(10)9-15(4)12(8-14)7-13(2,3)16-5/h10-12H,6-9,14H2,1-5H3
InChIKeyCMLRZSWBDZALHZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds7

About 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine

4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine (PubChem CID 106675705) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
PubChem CID106675705
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)CC1CC1C
InChIInChI=1S/C13H28N2O/c1-10-6-11(10)9-15(4)12(8-14)7-13(2,3)16-5/h10-12H,6-9,14H2,1-5H3
InChIKeyCMLRZSWBDZALHZ-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]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

4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 66268815
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
4-amino-N-methyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanamide
CID 66427575
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675498
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
2-N,2,4-trimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 63879427
3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-2,3-diamine
CID 63878750
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine (CID 106675705) is 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine is COC(C)(C)CC(CN)N(C)CC1CC1C.
What is the InChIKey of 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
The InChIKey is CMLRZSWBDZALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-6-11(10)9-15(4)12(8-14)7-13(2,3)16-5/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine?
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 106675705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).