N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine

C19H35N3 — CID 167047783

IUPACN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
SMILES[H]/N=C(\C=C(/NC(CC)C(C)(C)C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C19H35N3/c1-8-17(19(5,6)7)21-16(14(2)3)13-18(20)22-12-10-9-11-15(22)4/h13,15,17,20-21H,2,8-12H2,1,3-7H3/b16-13-,20-18+
InChIKeyQJFHBLGHMCMGCJ-MGLDXCJPSA-N
MW305.51 g/mol
LogP4.71
Rot. Bonds5

About N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine

N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine (PubChem CID 167047783) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
PubChem CID167047783
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC NameN-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine
SMILES[H]/N=C(\C=C(/NC(CC)C(C)(C)C)C(=C)C)N1CCCCC1C
InChIInChI=1S/C19H35N3/c1-8-17(19(5,6)7)21-16(14(2)3)13-18(20)22-12-10-9-11-15(22)4/h13,15,17,20-21H,2,8-12H2,1,3-7H3/b16-13-,20-18+
InChIKeyQJFHBLGHMCMGCJ-MGLDXCJPSA-N
XLogP4.71
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The IUPAC name of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine (CID 167047783) is N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine is [H]/N=C(\C=C(/NC(CC)C(C)(C)C)C(=C)C)N1CCCCC1C.
What is the InChIKey of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
The InChIKey is QJFHBLGHMCMGCJ-MGLDXCJPSA-N. The full InChI is InChI=1S/C19H35N3/c1-8-17(19(5,6)7)21-16(14(2)3)13-18(20)22-12-10-9-11-15(22)4/h13,15,17,20-21H,2,8-12H2,1,3-7H3/b16-13-,20-18+.
What are the key properties of N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine?
N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine has a molecular weight of 305.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)penta-1,3-dien-3-yl]-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 167047783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).