N-but-3-en-2-yl-4-methoxycyclohexan-1-amine

C11H21NO — CID 104530376

IUPACN-but-3-en-2-yl-4-methoxycyclohexan-1-amine
SMILESC=CC(C)NC1CCC(OC)CC1
InChIInChI=1S/C11H21NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h4,9-12H,1,5-8H2,2-3H3
InChIKeyLZOSHKRGDAXLMV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About N-but-3-en-2-yl-4-methoxycyclohexan-1-amine

N-but-3-en-2-yl-4-methoxycyclohexan-1-amine (PubChem CID 104530376) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-4-methoxycyclohexan-1-amine
PubChem CID104530376
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-but-3-en-2-yl-4-methoxycyclohexan-1-amine
SMILESC=CC(C)NC1CCC(OC)CC1
InChIInChI=1S/C11H21NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h4,9-12H,1,5-8H2,2-3H3
InChIKeyLZOSHKRGDAXLMV-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine
CID 11208331
4-(Prop-2-enylamino)cyclohexan-1-ol
CID 22180581
trans-(4-[4-(Allyl-methyl-amino)-butoxy]-cyclohexyl)-methyl-amine
CID 22567622
N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine
CID 22567695
N-methyl-4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexan-1-amine
CID 22568094
N-methyl-4-[5-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
CID 22568111
N-tert-butyl-4-prop-2-enoxycyclohexan-1-amine
CID 60147274
N-ethyl-4-prop-2-enoxycyclohexan-1-amine
CID 68371753
N-methyl-4-prop-2-enoxycyclohexan-1-amine
CID 89595072
N-methyl-4-[1-[methyl(prop-2-enyl)amino]pentoxy]cyclohexan-1-amine
CID 90760601
4-methoxy-N-prop-2-enylcyclohexan-1-amine
CID 104456854
4-(But-3-enylamino)cyclohexan-1-ol
CID 106595122

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-4-methoxycyclohexan-1-amine?
The IUPAC name of N-but-3-en-2-yl-4-methoxycyclohexan-1-amine (CID 104530376) is N-but-3-en-2-yl-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-but-3-en-2-yl-4-methoxycyclohexan-1-amine is C=CC(C)NC1CCC(OC)CC1.
What is the InChIKey of N-but-3-en-2-yl-4-methoxycyclohexan-1-amine?
The InChIKey is LZOSHKRGDAXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(2)12-10-5-7-11(13-3)8-6-10/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-4-methoxycyclohexan-1-amine?
N-but-3-en-2-yl-4-methoxycyclohexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 104530376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).