N-but-3-enylhex-5-en-2-amine

C10H19N — CID 11332577

IUPACN-but-3-enylhex-5-en-2-amine
SMILESC=CCCNC(C)CCC=C
InChIInChI=1S/C10H19N/c1-4-6-8-10(3)11-9-7-5-2/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyRCKHPAKURPHKPY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds7

About N-but-3-enylhex-5-en-2-amine

N-but-3-enylhex-5-en-2-amine (PubChem CID 11332577) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-but-3-enylhex-5-en-2-amine.

Molecular Properties

Compound NameN-but-3-enylhex-5-en-2-amine
PubChem CID11332577
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-but-3-enylhex-5-en-2-amine
SMILESC=CCCNC(C)CCC=C
InChIInChI=1S/C10H19N/c1-4-6-8-10(3)11-9-7-5-2/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyRCKHPAKURPHKPY-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylhex-5-en-2-amine?
The IUPAC name of N-but-3-enylhex-5-en-2-amine (CID 11332577) is N-but-3-enylhex-5-en-2-amine.
What is the SMILES notation for N-but-3-enylhex-5-en-2-amine?
The canonical SMILES for N-but-3-enylhex-5-en-2-amine is C=CCCNC(C)CCC=C.
What is the InChIKey of N-but-3-enylhex-5-en-2-amine?
The InChIKey is RCKHPAKURPHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-8-10(3)11-9-7-5-2/h4-5,10-11H,1-2,6-9H2,3H3.
What are the key properties of N-but-3-enylhex-5-en-2-amine?
N-but-3-enylhex-5-en-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylhex-5-en-2-amine is sourced from PubChem (CID 11332577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).