N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride

C11H24ClNO — CID 159534720

IUPACN-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CC1CO1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-3-5-7-12(8-6-4-2)9-11-10-13-11;/h11H,3-10H2,1-2H3;1H
InChIKeyMDLFUOJTFZBLJH-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.71
Rot. Bonds8

About N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride

N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride (PubChem CID 159534720) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
PubChem CID159534720
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
SMILESCCCCN(CCCC)CC1CO1.Cl
InChIInChI=1S/C11H23NO.ClH/c1-3-5-7-12(8-6-4-2)9-11-10-13-11;/h11H,3-10H2,1-2H3;1H
InChIKeyMDLFUOJTFZBLJH-UHFFFAOYSA-N
XLogP2.71
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
CID 174337105
N-butyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 61441728
N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
CID 158488239
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
CID 61234302
N-(oxiran-2-ylmethyl)-N-prop-2-ynylpropan-1-amine
CID 165349516
ethane;2-ethyloxirane;hexane
CID 91113410
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N-(oxiran-2-ylmethyl)-N-prop-2-enylpropan-1-amine
CID 22182928
(E)-N-[3-[3-[[(E)-non-3-enoyl]amino]propyl-(oxiran-2-ylmethyl)amino]propyl]non-3-enamide
CID 102117758
N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
CID 130729657

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride (CID 159534720) is N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride is CCCCN(CCCC)CC1CO1.Cl.
What is the InChIKey of N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride?
The InChIKey is MDLFUOJTFZBLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.ClH/c1-3-5-7-12(8-6-4-2)9-11-10-13-11;/h11H,3-10H2,1-2H3;1H.
What are the key properties of N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride?
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride has a molecular weight of 221.77 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 159534720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).