propane;N-propan-2-ylpentan-3-amine

C11H27N — CID 144761250

IUPACpropane;N-propan-2-ylpentan-3-amine
SMILESCCC.CCC(CC)NC(C)C
InChIInChI=1S/C8H19N.C3H8/c1-5-8(6-2)9-7(3)4;1-3-2/h7-9H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyGDVKHJLQUZOMTQ-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.59
Rot. Bonds4

About propane;N-propan-2-ylpentan-3-amine

propane;N-propan-2-ylpentan-3-amine (PubChem CID 144761250) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is propane;N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound Namepropane;N-propan-2-ylpentan-3-amine
PubChem CID144761250
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Namepropane;N-propan-2-ylpentan-3-amine
SMILESCCC.CCC(CC)NC(C)C
InChIInChI=1S/C8H19N.C3H8/c1-5-8(6-2)9-7(3)4;1-3-2/h7-9H,5-6H2,1-4H3;3H2,1-2H3
InChIKeyGDVKHJLQUZOMTQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91577659
CID 87569665
CID 87569665
5-methyl-N-propan-2-ylhex-5-en-3-amine
CID 134490897
1-(pentan-3-ylamino)ethanol
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(4R)-4-(propan-2-ylamino)hexanoic acid
CID 147977969
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
3-ethyl-4-methyl-N-propan-2-ylpentan-2-amine
CID 123979572
N,N-dimethylethanamine;N-propan-2-ylpropan-2-amine
CID 87343596
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
lithium;azanide;N-propan-2-ylpropan-2-amine
CID 172803690
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
1-(propan-2-ylamino)propan-1-ol
CID 20572331

Frequently Asked Questions

What is the IUPAC name of propane;N-propan-2-ylpentan-3-amine?
The IUPAC name of propane;N-propan-2-ylpentan-3-amine (CID 144761250) is propane;N-propan-2-ylpentan-3-amine.
What is the SMILES notation for propane;N-propan-2-ylpentan-3-amine?
The canonical SMILES for propane;N-propan-2-ylpentan-3-amine is CCC.CCC(CC)NC(C)C.
What is the InChIKey of propane;N-propan-2-ylpentan-3-amine?
The InChIKey is GDVKHJLQUZOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H8/c1-5-8(6-2)9-7(3)4;1-3-2/h7-9H,5-6H2,1-4H3;3H2,1-2H3.
What are the key properties of propane;N-propan-2-ylpentan-3-amine?
propane;N-propan-2-ylpentan-3-amine has a molecular weight of 173.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 144761250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).