N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine

C16H31NO — CID 102984869

IUPACN-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
SMILESCCCC(C)OC1(CNC2CC2)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-14(3)18-16(12-17-15-6-7-15)10-8-13(2)9-11-16/h13-15,17H,4-12H2,1-3H3
InChIKeyGBKLJXRVBXWUPC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds7

About N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine

N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine (PubChem CID 102984869) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
PubChem CID102984869
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
SMILESCCCC(C)OC1(CNC2CC2)CCC(C)CC1
InChIInChI=1S/C16H31NO/c1-4-5-14(3)18-16(12-17-15-6-7-15)10-8-13(2)9-11-16/h13-15,17H,4-12H2,1-3H3
InChIKeyGBKLJXRVBXWUPC-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methyl-1-pentan-2-yloxycyclohexyl)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-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 103490217
N-[(4-methyl-1-propan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 62106421
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 55194013
(3-methyl-1-pentan-2-yloxycyclopentyl)methanamine
CID 107895575
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62106956
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
CID 103490011
N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 66275943
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine (CID 102984869) is N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine is CCCC(C)OC1(CNC2CC2)CCC(C)CC1.
What is the InChIKey of N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine?
The InChIKey is GBKLJXRVBXWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-14(3)18-16(12-17-15-6-7-15)10-8-13(2)9-11-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine?
N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 102984869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).