N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine

C14H27N — CID 11085067

IUPACN-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
SMILESC=C1CCCC(C)(C)C1CN(CC)CC
InChIInChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h13H,3,6-11H2,1-2,4-5H3
InChIKeyMBYCILFMNKLVRD-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine

N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine (PubChem CID 11085067) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
PubChem CID11085067
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
SMILESC=C1CCCC(C)(C)C1CN(CC)CC
InChIInChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h13H,3,6-11H2,1-2,4-5H3
InChIKeyMBYCILFMNKLVRD-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
CID 177002588
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
CID 75163682
8-ethyl-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalene
CID 76550188
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
(2S,6R)-2-[2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-ethenyl-2,6-dimethyloxane
CID 162936538
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(3R)-1-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methoxy-3-methylpent-4-en-2-ol
CID 102445404

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine (CID 11085067) is N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine is C=C1CCCC(C)(C)C1CN(CC)CC.
What is the InChIKey of N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine?
The InChIKey is MBYCILFMNKLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h13H,3,6-11H2,1-2,4-5H3.
What are the key properties of N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine?
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 11085067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).