N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine

C19H35NO — CID 63521135

IUPACN-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCCC1CCC(CNC2CC2)(CC2CCCO2)CC1
InChIInChI=1S/C19H35NO/c1-2-3-5-16-9-11-19(12-10-16,15-20-17-7-8-17)14-18-6-4-13-21-18/h16-18,20H,2-15H2,1H3
InChIKeyJYTQWYRZCHKSRZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds8

About N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 63521135) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID63521135
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCCC1CCC(CNC2CC2)(CC2CCCO2)CC1
InChIInChI=1S/C19H35NO/c1-2-3-5-16-9-11-19(12-10-16,15-20-17-7-8-17)14-18-6-4-13-21-18/h16-18,20H,2-15H2,1H3
InChIKeyJYTQWYRZCHKSRZ-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
CID 63521307
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
2-butyloxolane;pentylcyclopentane
CID 143579314
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62256933
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 103992902
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine (CID 63521135) is N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine is CCCCC1CCC(CNC2CC2)(CC2CCCO2)CC1.
What is the InChIKey of N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is JYTQWYRZCHKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-3-5-16-9-11-19(12-10-16,15-20-17-7-8-17)14-18-6-4-13-21-18/h16-18,20H,2-15H2,1H3.
What are the key properties of N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 63521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).