2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

C15H30N2 — CID 126613745

IUPAC2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC(C)/N=C(/C=C(NC(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2/c1-10(2)14(16-12(5)6)9-15(11(3)4)17-13(7)8/h9-13,16H,1-8H3/b14-9?,17-15-
InChIKeyOXOBSWQLEHNKSO-OBUJNYITSA-N
MW238.42 g/mol
LogP4.03
Rot. Bonds6

About 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 126613745) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID126613745
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC(C)/N=C(/C=C(NC(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H30N2/c1-10(2)14(16-12(5)6)9-15(11(3)4)17-13(7)8/h9-13,16H,1-8H3/b14-9?,17-15-
InChIKeyOXOBSWQLEHNKSO-OBUJNYITSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.03
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

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(Z)-1,7-difluoro-N-propyl-5-propyliminohept-3-en-3-amine
CID 156290789
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
(4E)-N-(Butan-2-yl)-4-[(butan-2-yl)imino]pent-2-en-2-amine
CID 71427987
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 126613745) is 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is CC(C)/N=C(/C=C(NC(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is OXOBSWQLEHNKSO-OBUJNYITSA-N. The full InChI is InChI=1S/C15H30N2/c1-10(2)14(16-12(5)6)9-15(11(3)4)17-13(7)8/h9-13,16H,1-8H3/b14-9?,17-15-.
What are the key properties of 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 126613745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).