N-prop-2-enylhex-1-en-1-amine

C9H17N — CID 173041901

IUPACN-prop-2-enylhex-1-en-1-amine
SMILESC=CCNC=CCCCC
InChIInChI=1S/C9H17N/c1-3-5-6-7-9-10-8-4-2/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYFUWTECESGTZDS-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds6

About N-prop-2-enylhex-1-en-1-amine

N-prop-2-enylhex-1-en-1-amine (PubChem CID 173041901) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-prop-2-enylhex-1-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enylhex-1-en-1-amine
PubChem CID173041901
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-prop-2-enylhex-1-en-1-amine
SMILESC=CCNC=CCCCC
InChIInChI=1S/C9H17N/c1-3-5-6-7-9-10-8-4-2/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYFUWTECESGTZDS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

(1E)-N-prop-2-enylhexa-1,5-dien-1-amine
CID 152929673
(Z)-N-butylhex-1-en-1-amine
CID 146262840
(Z)-dec-5-ene;hex-1-ene
CID 141304086
hexadeca-1,7,11-triene
CID 174048514
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
(4Z)-trideca-1,4,6,8-tetraene
CID 59905283
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
hexadec-6-ene;hex-1-ene
CID 158850904
N-but-1-enylhex-1-en-1-amine
CID 140583923
hex-1-ene;zinc
CID 174554611
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
pentadeca-1,7,10-triene
CID 174048702

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhex-1-en-1-amine?
The IUPAC name of N-prop-2-enylhex-1-en-1-amine (CID 173041901) is N-prop-2-enylhex-1-en-1-amine.
What is the SMILES notation for N-prop-2-enylhex-1-en-1-amine?
The canonical SMILES for N-prop-2-enylhex-1-en-1-amine is C=CCNC=CCCCC.
What is the InChIKey of N-prop-2-enylhex-1-en-1-amine?
The InChIKey is YFUWTECESGTZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-6-7-9-10-8-4-2/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of N-prop-2-enylhex-1-en-1-amine?
N-prop-2-enylhex-1-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 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-1-en-1-amine is sourced from PubChem (CID 173041901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).