N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine

C17H33N3 — CID 91369631

IUPACN'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine
SMILESCC(C)(C)/C=N/CCCNCCCNC1=CCCCC1
InChIInChI=1S/C17H33N3/c1-17(2,3)15-19-13-7-11-18-12-8-14-20-16-9-5-4-6-10-16/h9,15,18,20H,4-8,10-14H2,1-3H3/b19-15+
InChIKeyDSKDRYICSPRUFH-XDJHFCHBSA-N
MW279.47 g/mol
LogP3.52
Rot. Bonds9

About N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine

N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine (PubChem CID 91369631) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine
PubChem CID91369631
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine
SMILESCC(C)(C)/C=N/CCCNCCCNC1=CCCCC1
InChIInChI=1S/C17H33N3/c1-17(2,3)15-19-13-7-11-18-12-8-14-20-16-9-5-4-6-10-16/h9,15,18,20H,4-8,10-14H2,1-3H3/b19-15+
InChIKeyDSKDRYICSPRUFH-XDJHFCHBSA-N
XLogP3.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 12065549
1-(Cycloundecen-1-yl)-5-aza-1-azoniacycloundec-11-ene
CID 77159602
1-(Cycloundecen-1-yl)-5-aza-1-azoniacycloundecene
CID 77505506
2-(cyclohexen-1-ylimino)-N-ethylethanamine
CID 123650187
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377
(Z)-7-butan-2-ylimino-N-propylhept-2-en-3-amine;ethene
CID 142806830
(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine
CID 155431783
N-[(Z)-1-tert-butyliminohept-2-en-3-yl]cyclohexanamine
CID 20762320

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine (CID 91369631) is N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine is CC(C)(C)/C=N/CCCNCCCNC1=CCCCC1.
What is the InChIKey of N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine?
The InChIKey is DSKDRYICSPRUFH-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H33N3/c1-17(2,3)15-19-13-7-11-18-12-8-14-20-16-9-5-4-6-10-16/h9,15,18,20H,4-8,10-14H2,1-3H3/b19-15+.
What are the key properties of N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine?
N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine has a molecular weight of 279.47 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-N-[3-(2,2-dimethylpropylideneamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 91369631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).