N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine

C13H22N2 — CID 163480114

IUPACN-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine
SMILESCC(C)/N=C1\C=CC=CCC1NC(C)C
InChIInChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,13,15H,9H2,1-4H3/b14-12+
InChIKeyCDVGUNLANSHFTM-WYMLVPIESA-N
MW206.33 g/mol
LogP2.72
Rot. Bonds3

About N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine

N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine (PubChem CID 163480114) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine
PubChem CID163480114
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine
SMILESCC(C)/N=C1\C=CC=CCC1NC(C)C
InChIInChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,13,15H,9H2,1-4H3/b14-12+
InChIKeyCDVGUNLANSHFTM-WYMLVPIESA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine?
The IUPAC name of N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine (CID 163480114) is N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine.
What is the SMILES notation for N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine?
The canonical SMILES for N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine is CC(C)/N=C1\C=CC=CCC1NC(C)C.
What is the InChIKey of N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine?
The InChIKey is CDVGUNLANSHFTM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,13,15H,9H2,1-4H3/b14-12+.
What are the key properties of N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine?
N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propan-2-yliminocyclohepta-3,5-dien-1-amine is sourced from PubChem (CID 163480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).