(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine

C12H24N2 — CID 90075918

IUPAC(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine
SMILES[H]/N=C(C(=C(\N)C(C)C)/C(C)C)\C(C)C
InChIInChI=1S/C12H24N2/c1-7(2)10(11(13)8(3)4)12(14)9(5)6/h7-9,13H,14H2,1-6H3/b12-10-,13-11+
InChIKeyRLOHXWQQTXPBKN-PJABCKPXSA-N
MW196.34 g/mol
LogP3.19
Rot. Bonds4

About (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine

(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine (PubChem CID 90075918) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine
PubChem CID90075918
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine
SMILES[H]/N=C(C(=C(\N)C(C)C)/C(C)C)\C(C)C
InChIInChI=1S/C12H24N2/c1-7(2)10(11(13)8(3)4)12(14)9(5)6/h7-9,13H,14H2,1-6H3/b12-10-,13-11+
InChIKeyRLOHXWQQTXPBKN-PJABCKPXSA-N
XLogP3.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine?
The IUPAC name of (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine (CID 90075918) is (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine.
What is the SMILES notation for (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine?
The canonical SMILES for (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine is [H]/N=C(C(=C(\N)C(C)C)/C(C)C)\C(C)C.
What is the InChIKey of (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine?
The InChIKey is RLOHXWQQTXPBKN-PJABCKPXSA-N. The full InChI is InChI=1S/C12H24N2/c1-7(2)10(11(13)8(3)4)12(14)9(5)6/h7-9,13H,14H2,1-6H3/b12-10-,13-11+.
What are the key properties of (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine?
(Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine has a molecular weight of 196.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-2,6-dimethyl-4-propan-2-ylhept-3-en-3-amine is sourced from PubChem (CID 90075918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).