N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine

C13H27N — CID 166157939

IUPACN-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(C(C)C)C(C)C1CC1
InChIInChI=1S/C13H27N/c1-10(2)8-9-14(11(3)4)12(5)13-6-7-13/h10-13H,6-9H2,1-5H3
InChIKeyDGYLBSPLACLSGF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds6

About N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine

N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 166157939) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID166157939
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(C(C)C)C(C)C1CC1
InChIInChI=1S/C13H27N/c1-10(2)8-9-14(11(3)4)12(5)13-6-7-13/h10-13H,6-9H2,1-5H3
InChIKeyDGYLBSPLACLSGF-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 166157939) is N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)CCN(C(C)C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is DGYLBSPLACLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)8-9-14(11(3)4)12(5)13-6-7-13/h10-13H,6-9H2,1-5H3.
What are the key properties of N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 166157939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).