N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C18H35NO — CID 103559419

IUPACN-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H35NO/c1-5-9-19-17(13-18(20-4)7-6-8-18)16-11-14(2)10-15(3)12-16/h14-17,19H,5-13H2,1-4H3
InChIKeyIZOGMEMDFMRFKD-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

About N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103559419) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103559419
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H35NO/c1-5-9-19-17(13-18(20-4)7-6-8-18)16-11-14(2)10-15(3)12-16/h14-17,19H,5-13H2,1-4H3
InChIKeyIZOGMEMDFMRFKD-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103559419) is N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is IZOGMEMDFMRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-9-19-17(13-18(20-4)7-6-8-18)16-11-14(2)10-15(3)12-16/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine 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-[1-(3,5-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).