N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine

C18H35NO — CID 62725035

IUPACN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCOCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)15-8-11-18(12-9-15,10-5-13-20-4)14-19-16-6-7-16/h15-16,19H,5-14H2,1-4H3
InChIKeyPGGUUYJCPFTIIY-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

About N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62725035) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID62725035
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
SMILESCOCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35NO/c1-17(2,3)15-8-11-18(12-9-15,10-5-13-20-4)14-19-16-6-7-16/h15-16,19H,5-14H2,1-4H3
InChIKeyPGGUUYJCPFTIIY-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine 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-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844810
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine
CID 62106401
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine (CID 62725035) is N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine is COCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is PGGUUYJCPFTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)15-8-11-18(12-9-15,10-5-13-20-4)14-19-16-6-7-16/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62725035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).