(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine

C19H36N4 — CID 142517087

IUPAC(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)NCC1CC12CCN(CCC(C)(C)C)CC2
InChIInChI=1S/C19H36N4/c1-15(20)5-6-17(21)22-14-16-13-19(16)8-11-23(12-9-19)10-7-18(2,3)4/h5-6,16,22H,7-14,20-21H2,1-4H3/b15-5-,17-6+
InChIKeyZWMVSTWQBKUKIW-KSDLVNQGSA-N
MW320.52 g/mol
LogP2.78
Rot. Bonds6

About (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine (PubChem CID 142517087) has the molecular formula C19H36N4 and a molecular weight of 320.52 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine
PubChem CID142517087
Molecular FormulaC19H36N4
Molecular Weight320.52 g/mol
Exact Mass320.29
IUPAC Name(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine
SMILESC/C(N)=C/C=C(\N)NCC1CC12CCN(CCC(C)(C)C)CC2
InChIInChI=1S/C19H36N4/c1-15(20)5-6-17(21)22-14-16-13-19(16)8-11-23(12-9-19)10-7-18(2,3)4/h5-6,16,22H,7-14,20-21H2,1-4H3/b15-5-,17-6+
InChIKeyZWMVSTWQBKUKIW-KSDLVNQGSA-N
XLogP2.78
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-hexa-2,4-dien-2-yl-6-azaspiro[2.5]octan-2-yl)methyl]heptan-2-amine
CID 123730506
(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine;ethane
CID 142517086
ethane;N-methyl-1-[6-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-6-azaspiro[2.5]octan-2-yl]methanamine
CID 144360812
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine;ethane
CID 145197608
(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
CID 166981128
(1E,3E)-4-chloro-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]buta-1,3-diene-1,1,4-triamine
CID 174351795
N-methyl-1-[6-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-6-azaspiro[2.5]octan-2-yl]methanamine
CID 144360813
(1E,3Z)-1-(5-azaspiro[2.5]octan-5-yl)penta-1,3-diene-1,4-diamine
CID 145197609

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine (CID 142517087) is (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine is C/C(N)=C/C=C(\N)NCC1CC12CCN(CCC(C)(C)C)CC2.
What is the InChIKey of (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is ZWMVSTWQBKUKIW-KSDLVNQGSA-N. The full InChI is InChI=1S/C19H36N4/c1-15(20)5-6-17(21)22-14-16-13-19(16)8-11-23(12-9-19)10-7-18(2,3)4/h5-6,16,22H,7-14,20-21H2,1-4H3/b15-5-,17-6+.
What are the key properties of (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 320.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 142517087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).