2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine

C13H28N2O — CID 106675820

IUPAC2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCCC1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-4-5-11-6-7-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDHVFOPKZMYMMMC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds9

About 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine

2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675820) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675820
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCCCC1CC1
InChIInChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-4-5-11-6-7-11/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDHVFOPKZMYMMMC-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675811
2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
CID 106675732
2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103089081
N'-(3-cyclopropylpropyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473665
N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
CID 103152779
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
CID 106675790
4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine
CID 106675770
3-(3-cyclopentylpropylamino)pentanenitrile
CID 106010678
4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
CID 106675722
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine (CID 106675820) is 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NCCCC1CC1.
What is the InChIKey of 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is DHVFOPKZMYMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,16-3)9-12(10-14)15-8-4-5-11-6-7-11/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine?
2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).