N-[(1-methylcyclopropyl)methyl]propan-1-amine

C8H17N — CID 66025109

IUPACN-[(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1(C)CC1
InChIInChI=1S/C8H17N/c1-3-6-9-7-8(2)4-5-8/h9H,3-7H2,1-2H3
InChIKeyVFLKZIHOPBKEIQ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.79
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]propan-1-amine

N-[(1-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 66025109) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]propan-1-amine
PubChem CID66025109
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-[(1-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1(C)CC1
InChIInChI=1S/C8H17N/c1-3-6-9-7-8(2)4-5-8/h9H,3-7H2,1-2H3
InChIKeyVFLKZIHOPBKEIQ-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1-methylcyclopropyl)methyl]propan-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

N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 130601571
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
2-cyclohexyl-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103529144
N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
CID 107165972
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)acetamide
CID 63829967
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-1-amine
CID 106323691
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]propan-1-amine (CID 66025109) is N-[(1-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]propan-1-amine is CCCNCC1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is VFLKZIHOPBKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-6-9-7-8(2)4-5-8/h9H,3-7H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]propan-1-amine?
N-[(1-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 66025109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).