N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine

C15H29NO — CID 107448827

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-12(2)11-17-9-8-16-15-7-5-6-14(10-15)13(3)4/h13-16H,1,5-11H2,2-4H3
InChIKeyZSFYMICNBNIOPO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448827) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448827
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C15H29NO/c1-12(2)11-17-9-8-16-15-7-5-6-14(10-15)13(3)4/h13-16H,1,5-11H2,2-4H3
InChIKeyZSFYMICNBNIOPO-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 113460016
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 113589159
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113589200
4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
CID 62570971
2-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
CID 62571283
3-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
CID 62572520
N-(2-but-2-enoxyethyl)-3-methylcyclohexan-1-amine
CID 76946889
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102952452
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
N-(1-ethoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 103781038
N-(1-methoxypropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 103781046
2,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104042148

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448827) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine is C=C(C)COCCNC1CCCC(C(C)C)C1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZSFYMICNBNIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)11-17-9-8-16-15-7-5-6-14(10-15)13(3)4/h13-16H,1,5-11H2,2-4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).