N-hept-6-enyl-2,5-dimethylpyrrol-1-amine

C13H22N2 — CID 107006942

IUPACN-hept-6-enyl-2,5-dimethylpyrrol-1-amine
SMILESC=CCCCCCNn1c(C)ccc1C
InChIInChI=1S/C13H22N2/c1-4-5-6-7-8-11-14-15-12(2)9-10-13(15)3/h4,9-10,14H,1,5-8,11H2,2-3H3
InChIKeySPSPSYJCTWGVHN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.39
Rot. Bonds7

About N-hept-6-enyl-2,5-dimethylpyrrol-1-amine

N-hept-6-enyl-2,5-dimethylpyrrol-1-amine (PubChem CID 107006942) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-hept-6-enyl-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-hept-6-enyl-2,5-dimethylpyrrol-1-amine
PubChem CID107006942
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-hept-6-enyl-2,5-dimethylpyrrol-1-amine
SMILESC=CCCCCCNn1c(C)ccc1C
InChIInChI=1S/C13H22N2/c1-4-5-6-7-8-11-14-15-12(2)9-10-13(15)3/h4,9-10,14H,1,5-8,11H2,2-3H3
InChIKeySPSPSYJCTWGVHN-UHFFFAOYSA-N
XLogP3.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
2,5-dimethyl-N-(2-methylprop-2-enyl)pyrrol-1-amine
CID 79100102
N-oct-7-enylaniline
CID 101291024
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
1-methyl-2-oct-7-enylbenzene
CID 18786509
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
2-chloro-N-hept-6-enyl-5-methylaniline
CID 107634399
N-ethenylhept-6-en-1-amine
CID 145124117
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202
N-propylnon-8-en-1-amine
CID 107010151
N-methylbut-3-en-1-amine;1,4-xylene
CID 153363449

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-hept-6-enyl-2,5-dimethylpyrrol-1-amine (CID 107006942) is N-hept-6-enyl-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-hept-6-enyl-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-hept-6-enyl-2,5-dimethylpyrrol-1-amine is C=CCCCCCNn1c(C)ccc1C.
What is the InChIKey of N-hept-6-enyl-2,5-dimethylpyrrol-1-amine?
The InChIKey is SPSPSYJCTWGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-5-6-7-8-11-14-15-12(2)9-10-13(15)3/h4,9-10,14H,1,5-8,11H2,2-3H3.
What are the key properties of N-hept-6-enyl-2,5-dimethylpyrrol-1-amine?
N-hept-6-enyl-2,5-dimethylpyrrol-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 107006942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).