N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine

C16H31NO — CID 64746524

IUPACN-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCCNC(COC1CCC(C)C(C)C1)C1CC1
InChIInChI=1S/C16H31NO/c1-4-9-17-16(14-6-7-14)11-18-15-8-5-12(2)13(3)10-15/h12-17H,4-11H2,1-3H3
InChIKeyIWHDCKUHASOLCF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds7

About N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine

N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine (PubChem CID 64746524) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
PubChem CID64746524
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCCNC(COC1CCC(C)C(C)C1)C1CC1
InChIInChI=1S/C16H31NO/c1-4-9-17-16(14-6-7-14)11-18-15-8-5-12(2)13(3)10-15/h12-17H,4-11H2,1-3H3
InChIKeyIWHDCKUHASOLCF-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopentyl-2-(2-methylcyclohexyl)oxyethyl]propan-1-amine
CID 104748751
N-[1-cyclopropyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]propan-1-amine
CID 63907290
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745584
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine (CID 64746524) is N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine is CCCNC(COC1CCC(C)C(C)C1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine?
The InChIKey is IWHDCKUHASOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-9-17-16(14-6-7-14)11-18-15-8-5-12(2)13(3)10-15/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3,4-dimethylcyclohexyl)oxyethyl]propan-1-amine is sourced from PubChem (CID 64746524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).