4-N-tert-butyl-2-N-methylpentane-2,4-diamine

C10H24N2 — CID 168728756

IUPAC4-N-tert-butyl-2-N-methylpentane-2,4-diamine
SMILESCNC(C)CC(C)NC(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(11-6)7-9(2)12-10(3,4)5/h8-9,11-12H,7H2,1-6H3
InChIKeyFBXOOVUFWFUGGJ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.76
Rot. Bonds4

About 4-N-tert-butyl-2-N-methylpentane-2,4-diamine

4-N-tert-butyl-2-N-methylpentane-2,4-diamine (PubChem CID 168728756) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-methylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-methylpentane-2,4-diamine
PubChem CID168728756
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name4-N-tert-butyl-2-N-methylpentane-2,4-diamine
SMILESCNC(C)CC(C)NC(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(11-6)7-9(2)12-10(3,4)5/h8-9,11-12H,7H2,1-6H3
InChIKeyFBXOOVUFWFUGGJ-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-methylpentane-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-methylpentane-2,4-diamine (CID 168728756) is 4-N-tert-butyl-2-N-methylpentane-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-methylpentane-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-methylpentane-2,4-diamine is CNC(C)CC(C)NC(C)(C)C.
What is the InChIKey of 4-N-tert-butyl-2-N-methylpentane-2,4-diamine?
The InChIKey is FBXOOVUFWFUGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(11-6)7-9(2)12-10(3,4)5/h8-9,11-12H,7H2,1-6H3.
What are the key properties of 4-N-tert-butyl-2-N-methylpentane-2,4-diamine?
4-N-tert-butyl-2-N-methylpentane-2,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-methylpentane-2,4-diamine is sourced from PubChem (CID 168728756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).