N-propan-2-ylbutan-1-amine chloride

C7H17ClN- — CID 19629099

IUPACN-propan-2-ylbutan-1-amine chloride
SMILESCCCCNC(C)C.[Cl-]
InChIInChI=1S/C7H17N.ClH/c1-4-5-6-8-7(2)3;/h7-8H,4-6H2,1-3H3;1H/p-1
InChIKeyDETMIQIJJFOZEZ-UHFFFAOYSA-M
MW150.67 g/mol
LogP-1.21
Rot. Bonds4

About N-propan-2-ylbutan-1-amine chloride

N-propan-2-ylbutan-1-amine chloride (PubChem CID 19629099) has the molecular formula C7H17ClN- and a molecular weight of 150.67 g/mol. Its IUPAC name is N-propan-2-ylbutan-1-amine chloride.

Molecular Properties

Compound NameN-propan-2-ylbutan-1-amine chloride
PubChem CID19629099
Molecular FormulaC7H17ClN-
Molecular Weight150.67 g/mol
Exact Mass150.11
IUPAC NameN-propan-2-ylbutan-1-amine chloride
SMILESCCCCNC(C)C.[Cl-]
InChIInChI=1S/C7H17N.ClH/c1-4-5-6-8-7(2)3;/h7-8H,4-6H2,1-3H3;1H/p-1
InChIKeyDETMIQIJJFOZEZ-UHFFFAOYSA-M
XLogP-1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylicosan-1-amine
CID 87246132
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-(butylamino)ethanol;hydrochloride
CID 20534159
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylbutan-1-amine chloride?
The IUPAC name of N-propan-2-ylbutan-1-amine chloride (CID 19629099) is N-propan-2-ylbutan-1-amine chloride.
What is the SMILES notation for N-propan-2-ylbutan-1-amine chloride?
The canonical SMILES for N-propan-2-ylbutan-1-amine chloride is CCCCNC(C)C.[Cl-].
What is the InChIKey of N-propan-2-ylbutan-1-amine chloride?
The InChIKey is DETMIQIJJFOZEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N.ClH/c1-4-5-6-8-7(2)3;/h7-8H,4-6H2,1-3H3;1H/p-1.
What are the key properties of N-propan-2-ylbutan-1-amine chloride?
N-propan-2-ylbutan-1-amine chloride has a molecular weight of 150.67 g/mol, XLogP of -1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylbutan-1-amine chloride is sourced from PubChem (CID 19629099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).