N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine

C17H33NO — CID 55194013

IUPACN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)CC)CC1
InChIInChI=1S/C17H33NO/c1-4-6-15-9-11-17(12-10-15,19-14(3)5-2)13-18-16-7-8-16/h14-16,18H,4-13H2,1-3H3
InChIKeyOZWCRUYSCDNIMM-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds8

About N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine

N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine (PubChem CID 55194013) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
PubChem CID55194013
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)CC)CC1
InChIInChI=1S/C17H33NO/c1-4-6-15-9-11-17(12-10-15,19-14(3)5-2)13-18-16-7-8-16/h14-16,18H,4-13H2,1-3H3
InChIKeyOZWCRUYSCDNIMM-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62106956
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 102984869
N-[(1-methoxycyclobutyl)methyl]-4-propylcyclohexan-1-amine
CID 103991695
N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 103490217
N-[(4-methyl-1-propan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 62106421
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111094
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-propylcyclohexan-1-amine
CID 103802424
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine (CID 55194013) is N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)(OC(C)CC)CC1.
What is the InChIKey of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is OZWCRUYSCDNIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-6-15-9-11-17(12-10-15,19-14(3)5-2)13-18-16-7-8-16/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine?
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 55194013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).