N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine

C14H27NO — CID 104531141

IUPACN-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCOCC2CC2)C(C)C1
InChIInChI=1S/C14H27NO/c1-11-3-6-14(12(2)9-11)15-7-8-16-10-13-4-5-13/h11-15H,3-10H2,1-2H3
InChIKeyWNTWAFSGRMNFBX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 104531141) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID104531141
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCOCC2CC2)C(C)C1
InChIInChI=1S/C14H27NO/c1-11-3-6-14(12(2)9-11)15-7-8-16-10-13-4-5-13/h11-15H,3-10H2,1-2H3
InChIKeyWNTWAFSGRMNFBX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106127277
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
N-(2,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 64761317
N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
CID 64776416
(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
N-[2-(cyclopropylmethoxy)ethyl]-4-methoxycyclohexan-1-amine
CID 104530185
N-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-3-amine
CID 103882786
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 104531141) is N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCCOCC2CC2)C(C)C1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is WNTWAFSGRMNFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-3-6-14(12(2)9-11)15-7-8-16-10-13-4-5-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).