N,N-di(propan-2-yl)pentan-3-amine

C11H25N — CID 4255656

IUPACN,N-di(propan-2-yl)pentan-3-amine
SMILESCCC(CC)N(C(C)C)C(C)C
InChIInChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3
InChIKeyBDKMTSFYPWEJRE-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.29
Rot. Bonds5

About N,N-di(propan-2-yl)pentan-3-amine

N,N-di(propan-2-yl)pentan-3-amine (PubChem CID 4255656) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,N-di(propan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)pentan-3-amine
PubChem CID4255656
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,N-di(propan-2-yl)pentan-3-amine
SMILESCCC(CC)N(C(C)C)C(C)C
InChIInChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3
InChIKeyBDKMTSFYPWEJRE-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)pentan-3-amine?
The IUPAC name of N,N-di(propan-2-yl)pentan-3-amine (CID 4255656) is N,N-di(propan-2-yl)pentan-3-amine.
What is the SMILES notation for N,N-di(propan-2-yl)pentan-3-amine?
The canonical SMILES for N,N-di(propan-2-yl)pentan-3-amine is CCC(CC)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)pentan-3-amine?
The InChIKey is BDKMTSFYPWEJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-11(8-2)12(9(3)4)10(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of N,N-di(propan-2-yl)pentan-3-amine?
N,N-di(propan-2-yl)pentan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)pentan-3-amine is sourced from PubChem (CID 4255656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).