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

C18H32N2 — CID 22036684

IUPACN-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/CC=C.C=CCCC(C)NCC=C
InChIInChI=1S/C9H17N.C9H15N/c2*1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3;4-5H,1-2,6-8H2,3H3/b;10-9+
InChIKeyVWNLMWNDIFADMV-GMOHPMBGSA-N
MW276.47 g/mol
LogP4.72
Rot. Bonds11

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

N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine (PubChem CID 22036684) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine.

Molecular Properties

Compound NameN-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine
PubChem CID22036684
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/CC=C.C=CCCC(C)NCC=C
InChIInChI=1S/C9H17N.C9H15N/c2*1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3;4-5H,1-2,6-8H2,3H3/b;10-9+
InChIKeyVWNLMWNDIFADMV-GMOHPMBGSA-N
XLogP4.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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;N-prop-2-enylhex-5-en-2-imine?
The IUPAC name of N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine (CID 22036684) is N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine.
What is the SMILES notation for N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine?
The canonical SMILES for N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine is C=CCC/C(C)=N/CC=C.C=CCCC(C)NCC=C.
What is the InChIKey of N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine?
The InChIKey is VWNLMWNDIFADMV-GMOHPMBGSA-N. The full InChI is InChI=1S/C9H17N.C9H15N/c2*1-4-6-7-9(3)10-8-5-2/h4-5,9-10H,1-2,6-8H2,3H3;4-5H,1-2,6-8H2,3H3/b;10-9+.
What are the key properties of N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine?
N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine has a molecular weight of 276.47 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhex-5-en-2-amine;N-prop-2-enylhex-5-en-2-imine is sourced from PubChem (CID 22036684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).