2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine

C12H28N2 — CID 64708210

IUPAC2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(CC)C(C)C
InChIInChI=1S/C12H28N2/c1-7-13-11(5)9-12(6)14(8-2)10(3)4/h10-13H,7-9H2,1-6H3
InChIKeyNRARSVJSDNEIAR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.49
Rot. Bonds7

About 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine

2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine (PubChem CID 64708210) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine
PubChem CID64708210
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine
SMILESCCNC(C)CC(C)N(CC)C(C)C
InChIInChI=1S/C12H28N2/c1-7-13-11(5)9-12(6)14(8-2)10(3)4/h10-13H,7-9H2,1-6H3
InChIKeyNRARSVJSDNEIAR-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine (CID 64708210) is 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine is CCNC(C)CC(C)N(CC)C(C)C.
What is the InChIKey of 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine?
The InChIKey is NRARSVJSDNEIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-13-11(5)9-12(6)14(8-2)10(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine?
2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-4-N-propan-2-ylpentane-2,4-diamine is sourced from PubChem (CID 64708210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).