N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine

C13H20N2 — CID 5241766

IUPACN-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine
SMILESCCC/N=c1\cccccc1NCCC
InChIInChI=1S/C13H20N2/c1-3-10-14-12-8-6-5-7-9-13(12)15-11-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,14,15)
InChIKeyTVHBQNFMJFQSGY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.82
Rot. Bonds5

About N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine

N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine (PubChem CID 5241766) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine
PubChem CID5241766
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine
SMILESCCC/N=c1\cccccc1NCCC
InChIInChI=1S/C13H20N2/c1-3-10-14-12-8-6-5-7-9-13(12)15-11-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,14,15)
InChIKeyTVHBQNFMJFQSGY-UHFFFAOYSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
N-Methyl-7-(methylimino)-1,3,5-cycloheptatrien-1-amine
CID 939724
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
CID 358339
(1E,3E)-4-fluoro-N-[(Z)-4-methyliminopent-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 156184118
[N-isopropyl-2-(isopropylamino)troponiminato]-methylzinc
CID 11543752
2,3-dihydro-1H-cyclohepta[b]pyrazine
CID 14174472
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
CID 25137124

Frequently Asked Questions

What is the IUPAC name of N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine (CID 5241766) is N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine is CCC/N=c1\cccccc1NCCC.
What is the InChIKey of N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is TVHBQNFMJFQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-10-14-12-8-6-5-7-9-13(12)15-11-4-2/h5-9H,3-4,10-11H2,1-2H3,(H,14,15).
What are the key properties of N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine?
N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 5241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).