N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

C16H31NO — CID 107428822

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H31NO/c1-13(2)10-15-6-5-7-16(11-15)17-8-9-18-12-14(3)4/h13,15-17H,3,5-12H2,1-2,4H3
InChIKeyHBXSHZRESUWLEO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428822) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428822
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H31NO/c1-13(2)10-15-6-5-7-16(11-15)17-8-9-18-12-14(3)4/h13,15-17H,3,5-12H2,1-2,4H3
InChIKeyHBXSHZRESUWLEO-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.77
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
2,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104042148
N-[(2-methylcyclohexyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104463933
2,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104531400
N-(2-ethoxyethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428085

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428822) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is C=C(C)COCCNC1CCCC(CC(C)C)C1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is HBXSHZRESUWLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)10-15-6-5-7-16(11-15)17-8-9-18-12-14(3)4/h13,15-17H,3,5-12H2,1-2,4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.77, 8 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-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).