N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine

C12H21NO — CID 115873242

IUPACN-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
SMILESC#CCCCN(C)CCOCC1CC1
InChIInChI=1S/C12H21NO/c1-3-4-5-8-13(2)9-10-14-11-12-6-7-12/h1,12H,4-11H2,2H3
InChIKeyHBBZZGWAICVNTG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.76
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine

N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine (PubChem CID 115873242) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
PubChem CID115873242
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine
SMILESC#CCCCN(C)CCOCC1CC1
InChIInChI=1S/C12H21NO/c1-3-4-5-8-13(2)9-10-14-11-12-6-7-12/h1,12H,4-11H2,2H3
InChIKeyHBBZZGWAICVNTG-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine 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

3-[2-(cyclopropylmethoxy)ethyl-methylamino]propane-1-sulfonamide
CID 112698309
1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane
CID 160741819
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
N-methyl-N-(2-phenylmethoxyethyl)pent-4-yn-1-amine
CID 130855690
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
4-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498802
N-methyl-2-(2-prop-2-ynoxyethoxy)-N-[2-(2-prop-2-ynoxyethoxy)ethyl]ethanamine
CID 102514803
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine (CID 115873242) is N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine is C#CCCCN(C)CCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine?
The InChIKey is HBBZZGWAICVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-8-13(2)9-10-14-11-12-6-7-12/h1,12H,4-11H2,2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine?
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 115873242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).