N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine

C14H27NO — CID 103033295

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,16-3)10-12-15-11-9-13-7-5-4-6-8-13/h7,15H,4-6,8-12H2,1-3H3
InChIKeyHRXZUXXINGJYIP-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033295) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
PubChem CID103033295
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,16-3)10-12-15-11-9-13-7-5-4-6-8-13/h7,15H,4-6,8-12H2,1-3H3
InChIKeyHRXZUXXINGJYIP-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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

1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
CID 123329771
4-[2-(Cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride
CID 162372029
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 60692324
2-(cyclohexen-1-yl)-N-(2-methoxyethyl)ethanamine
CID 60718915
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybutan-2-amine
CID 61866398
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylpropan-2-ol
CID 62325262
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62326173
2-(cyclohexen-1-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 64373248
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 65175115
4-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 79359601

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine (CID 103033295) is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is HRXZUXXINGJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,16-3)10-12-15-11-9-13-7-5-4-6-8-13/h7,15H,4-6,8-12H2,1-3H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 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]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).