N,3-dimethyl-N-propylbutan-1-amine

C9H21N — CID 59962235

IUPACN,3-dimethyl-N-propylbutan-1-amine
SMILESCCCN(C)CCC(C)C
InChIInChI=1S/C9H21N/c1-5-7-10(4)8-6-9(2)3/h9H,5-8H2,1-4H3
InChIKeyBPCCYOWJQWCMQO-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.37
Rot. Bonds5

About N,3-dimethyl-N-propylbutan-1-amine

N,3-dimethyl-N-propylbutan-1-amine (PubChem CID 59962235) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propylbutan-1-amine
PubChem CID59962235
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,3-dimethyl-N-propylbutan-1-amine
SMILESCCCN(C)CCC(C)C
InChIInChI=1S/C9H21N/c1-5-7-10(4)8-6-9(2)3/h9H,5-8H2,1-4H3
InChIKeyBPCCYOWJQWCMQO-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of N,3-dimethyl-N-propylbutan-1-amine (CID 59962235) is N,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-N-propylbutan-1-amine is CCCN(C)CCC(C)C.
What is the InChIKey of N,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is BPCCYOWJQWCMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-7-10(4)8-6-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-N-propylbutan-1-amine?
N,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 59962235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).