N-methylhex-5-en-1-amine;hydrochloride

C7H16ClN — CID 71413963

IUPACN-methylhex-5-en-1-amine;hydrochloride
SMILESC=CCCCCNC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-4-5-6-7-8-2;/h3,8H,1,4-7H2,2H3;1H
InChIKeyAQBBGEJZLXNBKS-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.98
Rot. Bonds5

About N-methylhex-5-en-1-amine;hydrochloride

N-methylhex-5-en-1-amine;hydrochloride (PubChem CID 71413963) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is N-methylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methylhex-5-en-1-amine;hydrochloride
PubChem CID71413963
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC NameN-methylhex-5-en-1-amine;hydrochloride
SMILESC=CCCCCNC.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-4-5-6-7-8-2;/h3,8H,1,4-7H2,2H3;1H
InChIKeyAQBBGEJZLXNBKS-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.98
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-methylhex-5-en-1-amine;hydrochloride?
The IUPAC name of N-methylhex-5-en-1-amine;hydrochloride (CID 71413963) is N-methylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for N-methylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for N-methylhex-5-en-1-amine;hydrochloride is C=CCCCCNC.Cl.
What is the InChIKey of N-methylhex-5-en-1-amine;hydrochloride?
The InChIKey is AQBBGEJZLXNBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-3-4-5-6-7-8-2;/h3,8H,1,4-7H2,2H3;1H.
What are the key properties of N-methylhex-5-en-1-amine;hydrochloride?
N-methylhex-5-en-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 71413963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).