(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine

C17H29N — CID 143761512

IUPAC(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\C1=C(C)CC(C)CC1)CNC(C)(C)C
InChIInChI=1S/C17H29N/c1-7-15(12-18-17(4,5)6)11-16-9-8-13(2)10-14(16)3/h7,11,13,18H,1,8-10,12H2,2-6H3/b15-11+
InChIKeyCQSVLTHVFHUAGA-RVDMUPIBSA-N
MW247.43 g/mol
LogP4.62
Rot. Bonds4

About (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine

(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine (PubChem CID 143761512) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine
PubChem CID143761512
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\C1=C(C)CC(C)CC1)CNC(C)(C)C
InChIInChI=1S/C17H29N/c1-7-15(12-18-17(4,5)6)11-16-9-8-13(2)10-14(16)3/h7,11,13,18H,1,8-10,12H2,2-6H3/b15-11+
InChIKeyCQSVLTHVFHUAGA-RVDMUPIBSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
CID 143209894
N-tert-butyl-2-methylidenebut-3-en-1-amine
CID 123407105
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
ethyl 2-[[2-(tert-butylamino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3553256
2-(2-hydroxypropan-2-yl)-5-methylcyclohexen-1-ol
CID 131846612
4-methylcyclohexene-1,2-dicarbaldehyde
CID 147376792
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylpyrrolidin-2-one
CID 103072380
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
1-hept-6-enylidene-3-methylcyclopentane
CID 173177618
N-tert-butyl-2-(cyclopropylmethylidene)butan-1-amine
CID 79330249
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine (CID 143761512) is (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine is C=C/C(=C\C1=C(C)CC(C)CC1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine?
The InChIKey is CQSVLTHVFHUAGA-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H29N/c1-7-15(12-18-17(4,5)6)11-16-9-8-13(2)10-14(16)3/h7,11,13,18H,1,8-10,12H2,2-6H3/b15-11+.
What are the key properties of (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine?
(2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-[(2,4-dimethylcyclohexen-1-yl)methylidene]but-3-en-1-amine is sourced from PubChem (CID 143761512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).