N,N-bis(2-methylpropyl)pentan-3-amine

C13H29N — CID 20735455

IUPACN,N-bis(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-13(8-2)14(9-11(3)4)10-12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyXOOORVSVGNZCMQ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds7

About N,N-bis(2-methylpropyl)pentan-3-amine

N,N-bis(2-methylpropyl)pentan-3-amine (PubChem CID 20735455) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)pentan-3-amine
PubChem CID20735455
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,N-bis(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-7-13(8-2)14(9-11(3)4)10-12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyXOOORVSVGNZCMQ-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)pentan-3-amine?
The IUPAC name of N,N-bis(2-methylpropyl)pentan-3-amine (CID 20735455) is N,N-bis(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)pentan-3-amine is CCC(CC)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)pentan-3-amine?
The InChIKey is XOOORVSVGNZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-13(8-2)14(9-11(3)4)10-12(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of N,N-bis(2-methylpropyl)pentan-3-amine?
N,N-bis(2-methylpropyl)pentan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 20735455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).