N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

C15H29NO — CID 43147114

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC1=CCCCC1
InChIInChI=1S/C15H29NO/c1-13(12-15(2,3)17-4)16-11-10-14-8-6-5-7-9-14/h8,13,16H,5-7,9-12H2,1-4H3
InChIKeyDPBOOEDCUJNCII-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 43147114) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID43147114
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCC1=CCCCC1
InChIInChI=1S/C15H29NO/c1-13(12-15(2,3)17-4)16-11-10-14-8-6-5-7-9-14/h8,13,16H,5-7,9-12H2,1-4H3
InChIKeyDPBOOEDCUJNCII-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
CID 123329771
N-(7-methoxy-3,7-dimethyloct-2-enyl)cyclohexanamine
CID 173413041
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybutan-2-amine
CID 61866398
N-(cyclohex-3-en-1-ylmethyl)-4-methoxybutan-2-amine
CID 61950360
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 61951110
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62326173
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-2-methyloxan-4-amine
CID 64100349
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 64100544
N-[2-(cyclohexen-1-yl)ethyl]-1-methoxybutan-2-amine
CID 64398055
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 65175115

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (CID 43147114) is N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is DPBOOEDCUJNCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(12-15(2,3)17-4)16-11-10-14-8-6-5-7-9-14/h8,13,16H,5-7,9-12H2,1-4H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43147114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).