N-methyl-N-propan-2-ylbutan-1-amine

C8H19N — CID 559386

IUPACN-methyl-N-propan-2-ylbutan-1-amine
SMILESCCCCN(C)C(C)C
InChIInChI=1S/C8H19N/c1-5-6-7-9(4)8(2)3/h8H,5-7H2,1-4H3
InChIKeyKKBDINYFLTTZAQ-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.13
Rot. Bonds4

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

N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 559386) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-ylbutan-1-amine
PubChem CID559386
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN-methyl-N-propan-2-ylbutan-1-amine
SMILESCCCCN(C)C(C)C
InChIInChI=1S/C8H19N/c1-5-6-7-9(4)8(2)3/h8H,5-7H2,1-4H3
InChIKeyKKBDINYFLTTZAQ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-methyl-N-propan-2-ylbutan-1-amine (CID 559386) is N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-N-propan-2-ylbutan-1-amine is CCCCN(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KKBDINYFLTTZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-5-6-7-9(4)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-ylbutan-1-amine?
N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 559386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).