(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine

C18H30N2 — CID 129060455

IUPAC(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine
SMILESC=C(NC(C)(C)C)C(N)C/C(=C/C)C1=CCCC=C1C
InChIInChI=1S/C18H30N2/c1-7-15(16-11-9-8-10-13(16)2)12-17(19)14(3)20-18(4,5)6/h7,10-11,17,20H,3,8-9,12,19H2,1-2,4-6H3/b15-7-
InChIKeyZSNDAQUPDHFMIL-CHHVJCJISA-N
MW274.45 g/mol
LogP4.22
Rot. Bonds5

About (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine

(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine (PubChem CID 129060455) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine.

Molecular Properties

Compound Name(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine
PubChem CID129060455
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine
SMILESC=C(NC(C)(C)C)C(N)C/C(=C/C)C1=CCCC=C1C
InChIInChI=1S/C18H30N2/c1-7-15(16-11-9-8-10-13(16)2)12-17(19)14(3)20-18(4,5)6/h7,10-11,17,20H,3,8-9,12,19H2,1-2,4-6H3/b15-7-
InChIKeyZSNDAQUPDHFMIL-CHHVJCJISA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine?
The IUPAC name of (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine (CID 129060455) is (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine.
What is the SMILES notation for (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine?
The canonical SMILES for (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine is C=C(NC(C)(C)C)C(N)C/C(=C/C)C1=CCCC=C1C.
What is the InChIKey of (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine?
The InChIKey is ZSNDAQUPDHFMIL-CHHVJCJISA-N. The full InChI is InChI=1S/C18H30N2/c1-7-15(16-11-9-8-10-13(16)2)12-17(19)14(3)20-18(4,5)6/h7,10-11,17,20H,3,8-9,12,19H2,1-2,4-6H3/b15-7-.
What are the key properties of (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine?
(5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-N-tert-butyl-5-(6-methylcyclohexa-1,5-dien-1-yl)hepta-1,5-diene-2,3-diamine is sourced from PubChem (CID 129060455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).