azane;2-methyl-4-propylhept-3-ene;hydrochloride

C11H26ClN — CID 175053238

IUPACazane;2-methyl-4-propylhept-3-ene;hydrochloride
SMILESCCCC(=CC(C)C)CCC.Cl.N
InChIInChI=1S/C11H22.ClH.H3N/c1-5-7-11(8-6-2)9-10(3)4;;/h9-10H,5-8H2,1-4H3;1H;1H3
InChIKeyRTXHXAAZNTYTDI-UHFFFAOYSA-N
MW207.79 g/mol
LogP4.75
Rot. Bonds5

About azane;2-methyl-4-propylhept-3-ene;hydrochloride

azane;2-methyl-4-propylhept-3-ene;hydrochloride (PubChem CID 175053238) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is azane;2-methyl-4-propylhept-3-ene;hydrochloride.

Molecular Properties

Compound Nameazane;2-methyl-4-propylhept-3-ene;hydrochloride
PubChem CID175053238
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC Nameazane;2-methyl-4-propylhept-3-ene;hydrochloride
SMILESCCCC(=CC(C)C)CCC.Cl.N
InChIInChI=1S/C11H22.ClH.H3N/c1-5-7-11(8-6-2)9-10(3)4;;/h9-10H,5-8H2,1-4H3;1H;1H3
InChIKeyRTXHXAAZNTYTDI-UHFFFAOYSA-N
XLogP4.75
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methylpent-2-en-1-ol
CID 79323762
(1Z,3Z)-5-methyl-3-propylhexa-1,3-dien-1-amine
CID 146360767
4-ethyl-2,7,8-trimethyldec-3-ene
CID 123995060
2,4-dimethyl-6-methylidenenon-3-ene
CID 123168107
2-ethylidenepentane-1,1-diol
CID 174458356
(E)-3-propan-2-ylhex-2-ene
CID 142020071
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
7-butylundec-6-en-5-ylphosphane;hydrochloride
CID 173009520
CID 123272911
CID 123272911
4-chloro-2-methylhex-3-ene
CID 91176193
2-[(E)-2-methylhept-3-en-4-yl]furan
CID 146324229

Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-4-propylhept-3-ene;hydrochloride?
The IUPAC name of azane;2-methyl-4-propylhept-3-ene;hydrochloride (CID 175053238) is azane;2-methyl-4-propylhept-3-ene;hydrochloride.
What is the SMILES notation for azane;2-methyl-4-propylhept-3-ene;hydrochloride?
The canonical SMILES for azane;2-methyl-4-propylhept-3-ene;hydrochloride is CCCC(=CC(C)C)CCC.Cl.N.
What is the InChIKey of azane;2-methyl-4-propylhept-3-ene;hydrochloride?
The InChIKey is RTXHXAAZNTYTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.ClH.H3N/c1-5-7-11(8-6-2)9-10(3)4;;/h9-10H,5-8H2,1-4H3;1H;1H3.
What are the key properties of azane;2-methyl-4-propylhept-3-ene;hydrochloride?
azane;2-methyl-4-propylhept-3-ene;hydrochloride has a molecular weight of 207.79 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-4-propylhept-3-ene;hydrochloride is sourced from PubChem (CID 175053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).