N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine

C11H26N2 — CID 80544220

IUPACN,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
SMILESCCCC(C)N(C)CC(C)CCN
InChIInChI=1S/C11H26N2/c1-5-6-11(3)13(4)9-10(2)7-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyCLHNUJGHWZWQDR-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine

N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine (PubChem CID 80544220) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
PubChem CID80544220
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
SMILESCCCC(C)N(C)CC(C)CCN
InChIInChI=1S/C11H26N2/c1-5-6-11(3)13(4)9-10(2)7-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyCLHNUJGHWZWQDR-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine (CID 80544220) is N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine is CCCC(C)N(C)CC(C)CCN.
What is the InChIKey of N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine?
The InChIKey is CLHNUJGHWZWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-6-11(3)13(4)9-10(2)7-8-12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine?
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 80544220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).