1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine

C14H24N4 — CID 91418414

IUPAC1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C1\C=CC(N2CCC(N(C)C)CC2)CC\C1=N/[H]
InChIInChI=1S/C14H24N4/c1-17(2)11-7-9-18(10-8-11)12-3-5-13(15)14(16)6-4-12/h3,5,11-12,15-16H,4,6-10H2,1-2H3/b15-13+,16-14+
InChIKeyCRSNUAZFOIEURQ-WXUKJITCSA-N
MW248.37 g/mol
LogP1.77
Rot. Bonds2

About 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine

1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 91418414) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID91418414
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C1\C=CC(N2CCC(N(C)C)CC2)CC\C1=N/[H]
InChIInChI=1S/C14H24N4/c1-17(2)11-7-9-18(10-8-11)12-3-5-13(15)14(16)6-4-12/h3,5,11-12,15-16H,4,6-10H2,1-2H3/b15-13+,16-14+
InChIKeyCRSNUAZFOIEURQ-WXUKJITCSA-N
XLogP1.77
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337
4-Piperidin-1-ylcyclohex-2-en-1-imine
CID 124002929
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
1-(1-Methylpiperidin-2-yl)hex-1-en-3-imine
CID 174609931

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine (CID 91418414) is 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine is [H]/N=C1\C=CC(N2CCC(N(C)C)CC2)CC\C1=N/[H].
What is the InChIKey of 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is CRSNUAZFOIEURQ-WXUKJITCSA-N. The full InChI is InChI=1S/C14H24N4/c1-17(2)11-7-9-18(10-8-11)12-3-5-13(15)14(16)6-4-12/h3,5,11-12,15-16H,4,6-10H2,1-2H3/b15-13+,16-14+.
What are the key properties of 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diiminocyclohept-2-en-1-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 91418414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).