N-(2-bromoprop-2-enyl)hept-6-en-1-amine

C10H18BrN — CID 107007110

IUPACN-(2-bromoprop-2-enyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(=C)Br
InChIInChI=1S/C10H18BrN/c1-3-4-5-6-7-8-12-9-10(2)11/h3,12H,1-2,4-9H2
InChIKeyJPUCOWJFQDBWPS-UHFFFAOYSA-N
MW232.16 g/mol
LogP3.23
Rot. Bonds8

About N-(2-bromoprop-2-enyl)hept-6-en-1-amine

N-(2-bromoprop-2-enyl)hept-6-en-1-amine (PubChem CID 107007110) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)hept-6-en-1-amine
PubChem CID107007110
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC NameN-(2-bromoprop-2-enyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(=C)Br
InChIInChI=1S/C10H18BrN/c1-3-4-5-6-7-8-12-9-10(2)11/h3,12H,1-2,4-9H2
InChIKeyJPUCOWJFQDBWPS-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
N'-hept-6-enylethane-1,2-diamine
CID 107006766
N-propylnon-8-en-1-amine
CID 107010151
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
3-[(hept-6-enylamino)methyl]cyclobutan-1-ol
CID 107006928
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
5-(2-bromoprop-2-enylamino)pentanamide
CID 106237541
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
3-(hept-6-enylamino)propanamide
CID 107006585
N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
CID 115518150
2-bromo-N-propylprop-2-en-1-amine
CID 60873947

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)hept-6-en-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)hept-6-en-1-amine (CID 107007110) is N-(2-bromoprop-2-enyl)hept-6-en-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)hept-6-en-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)hept-6-en-1-amine is C=CCCCCCNCC(=C)Br.
What is the InChIKey of N-(2-bromoprop-2-enyl)hept-6-en-1-amine?
The InChIKey is JPUCOWJFQDBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c1-3-4-5-6-7-8-12-9-10(2)11/h3,12H,1-2,4-9H2.
What are the key properties of N-(2-bromoprop-2-enyl)hept-6-en-1-amine?
N-(2-bromoprop-2-enyl)hept-6-en-1-amine has a molecular weight of 232.16 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)hept-6-en-1-amine is sourced from PubChem (CID 107007110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).