(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine

C18H36N2 — CID 89369013

IUPAC(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine
SMILESC/C=C(\N=C\C(C)C)C(N)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C18H36N2/c1-10-15(20-11-13(2)3)16(19)18(8,9)12-17(6,7)14(4)5/h10-11,13-14,16H,12,19H2,1-9H3/b15-10-,20-11+
InChIKeyXUIKLRZMRPUJQV-SKGUUVROSA-N
MW280.50 g/mol
LogP5.04
Rot. Bonds7

About (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine

(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine (PubChem CID 89369013) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine.

Molecular Properties

Compound Name(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine
PubChem CID89369013
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine
SMILESC/C=C(\N=C\C(C)C)C(N)C(C)(C)CC(C)(C)C(C)C
InChIInChI=1S/C18H36N2/c1-10-15(20-11-13(2)3)16(19)18(8,9)12-17(6,7)14(4)5/h10-11,13-14,16H,12,19H2,1-9H3/b15-10-,20-11+
InChIKeyXUIKLRZMRPUJQV-SKGUUVROSA-N
XLogP5.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
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)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine?
The IUPAC name of (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine (CID 89369013) is (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine.
What is the SMILES notation for (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine?
The canonical SMILES for (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine is C/C=C(\N=C\C(C)C)C(N)C(C)(C)CC(C)(C)C(C)C.
What is the InChIKey of (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine?
The InChIKey is XUIKLRZMRPUJQV-SKGUUVROSA-N. The full InChI is InChI=1S/C18H36N2/c1-10-15(20-11-13(2)3)16(19)18(8,9)12-17(6,7)14(4)5/h10-11,13-14,16H,12,19H2,1-9H3/b15-10-,20-11+.
What are the key properties of (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine?
(Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine has a molecular weight of 280.50 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,7,7,8-pentamethyl-3-(2-methylpropylideneamino)non-2-en-4-amine is sourced from PubChem (CID 89369013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).