2,4,4-trimethyl-N-propylpentan-2-amine

C11H25N — CID 43731285

IUPAC2,4,4-trimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-8-12-11(5,6)9-10(2,3)4/h12H,7-9H2,1-6H3
InChIKeyNRCGOYHFSZSPGO-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds4

About 2,4,4-trimethyl-N-propylpentan-2-amine

2,4,4-trimethyl-N-propylpentan-2-amine (PubChem CID 43731285) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-propylpentan-2-amine
PubChem CID43731285
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,4,4-trimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-8-12-11(5,6)9-10(2,3)4/h12H,7-9H2,1-6H3
InChIKeyNRCGOYHFSZSPGO-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-propylpentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-propylpentan-2-amine (CID 43731285) is 2,4,4-trimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-propylpentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-propylpentan-2-amine is CCCNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-propylpentan-2-amine?
The InChIKey is NRCGOYHFSZSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-8-12-11(5,6)9-10(2,3)4/h12H,7-9H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-propylpentan-2-amine?
2,4,4-trimethyl-N-propylpentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 43731285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).