N-prop-2-enylhex-5-en-2-amine

C9H17N — CID 11788335

IUPACN-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)NCC=C
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3
InChIKeyBJXAXBQJGQUEIP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds6

About N-prop-2-enylhex-5-en-2-amine

N-prop-2-enylhex-5-en-2-amine (PubChem CID 11788335) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-prop-2-enylhex-5-en-2-amine.

Molecular Properties

Compound NameN-prop-2-enylhex-5-en-2-amine
PubChem CID11788335
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)NCC=C
InChIInChI=1S/C9H17N/c1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3
InChIKeyBJXAXBQJGQUEIP-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhex-5-en-2-amine?
The IUPAC name of N-prop-2-enylhex-5-en-2-amine (CID 11788335) is N-prop-2-enylhex-5-en-2-amine.
What is the SMILES notation for N-prop-2-enylhex-5-en-2-amine?
The canonical SMILES for N-prop-2-enylhex-5-en-2-amine is C=CCCC(C)NCC=C.
What is the InChIKey of N-prop-2-enylhex-5-en-2-amine?
The InChIKey is BJXAXBQJGQUEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3.
What are the key properties of N-prop-2-enylhex-5-en-2-amine?
N-prop-2-enylhex-5-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhex-5-en-2-amine is sourced from PubChem (CID 11788335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).