(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine

C17H34N2 — CID 134504879

IUPAC(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine
SMILESC/C=C(CCNC(C)(C)C)\C(CC)=N\C(C)C(C)C
InChIInChI=1S/C17H34N2/c1-9-15(11-12-18-17(6,7)8)16(10-2)19-14(5)13(3)4/h9,13-14,18H,10-12H2,1-8H3/b15-9-,19-16+
InChIKeyROMXOZZPMJRKCE-UQLDRGGGSA-N
MW266.47 g/mol
LogP4.61
Rot. Bonds7

About (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine

(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine (PubChem CID 134504879) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine.

Molecular Properties

Compound Name(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine
PubChem CID134504879
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine
SMILESC/C=C(CCNC(C)(C)C)\C(CC)=N\C(C)C(C)C
InChIInChI=1S/C17H34N2/c1-9-15(11-12-18-17(6,7)8)16(10-2)19-14(5)13(3)4/h9,13-14,18H,10-12H2,1-8H3/b15-9-,19-16+
InChIKeyROMXOZZPMJRKCE-UQLDRGGGSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
CID 129214843
(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
CID 130374413
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
(E)-6-(C,N-dimethylcarbonimidoyl)-N'-ethyl-5-imino-N-methyl-2-[(Z)-prop-1-enyl]hept-3-ene-1,7-diamine
CID 132038459
N-[2-(7-methyl-2-pentyl-4H-azepin-6-yl)ethyl]prop-1-en-2-amine
CID 139384277
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine
CID 147040996
(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine
CID 154971548

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine?
The IUPAC name of (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine (CID 134504879) is (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine.
What is the SMILES notation for (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine?
The canonical SMILES for (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine is C/C=C(CCNC(C)(C)C)\C(CC)=N\C(C)C(C)C.
What is the InChIKey of (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine?
The InChIKey is ROMXOZZPMJRKCE-UQLDRGGGSA-N. The full InChI is InChI=1S/C17H34N2/c1-9-15(11-12-18-17(6,7)8)16(10-2)19-14(5)13(3)4/h9,13-14,18H,10-12H2,1-8H3/b15-9-,19-16+.
What are the key properties of (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine?
(3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-tert-butyl-3-ethylidene-4-(3-methylbutan-2-ylimino)hexan-1-amine is sourced from PubChem (CID 134504879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).