1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine

C14H25N3 — CID 123942337

IUPAC1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(\C=C/C)/C=C\CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H25N3/c1-4-6-13(15)7-5-10-17-11-8-14(9-12-17)16(2)3/h4-7,14-15H,8-12H2,1-3H3/b6-4-,7-5-,15-13+
InChIKeyOJUCSBPTWGSQGD-OUESDXOXSA-N
MW235.38 g/mol
LogP2.16
Rot. Bonds5

About 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine

1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 123942337) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
PubChem CID123942337
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(\C=C/C)/C=C\CN1CCC(N(C)C)CC1
InChIInChI=1S/C14H25N3/c1-4-6-13(15)7-5-10-17-11-8-14(9-12-17)16(2)3/h4-7,14-15H,8-12H2,1-3H3/b6-4-,7-5-,15-13+
InChIKeyOJUCSBPTWGSQGD-OUESDXOXSA-N
XLogP2.16
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 91418414
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
1-Cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine
CID 123839937
1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine
CID 123871350
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
4-(4-Methylpiperazin-1-yl)cyclohepta-2,6-dien-1-imine
CID 123966950
4-Piperidin-1-ylcyclohex-2-en-1-imine
CID 124002929
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
CID 171523504
1-(1-Methylpiperidin-2-yl)hex-1-en-3-imine
CID 174609931

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine (CID 123942337) is 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine is [H]/N=C(\C=C/C)/C=C\CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is OJUCSBPTWGSQGD-OUESDXOXSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-13(15)7-5-10-17-11-8-14(9-12-17)16(2)3/h4-7,14-15H,8-12H2,1-3H3/b6-4-,7-5-,15-13+.
What are the key properties of 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine?
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 123942337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).