1-N,5-N-diethyl-2-methylhexane-1,5-diamine

C11H26N2 — CID 129202816

IUPAC1-N,5-N-diethyl-2-methylhexane-1,5-diamine
SMILESCCNCC(C)CCC(C)NCC
InChIInChI=1S/C11H26N2/c1-5-12-9-10(3)7-8-11(4)13-6-2/h10-13H,5-9H2,1-4H3
InChIKeyREAHCXOEPJAGTP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds8

About 1-N,5-N-diethyl-2-methylhexane-1,5-diamine

1-N,5-N-diethyl-2-methylhexane-1,5-diamine (PubChem CID 129202816) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,5-N-diethyl-2-methylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-diethyl-2-methylhexane-1,5-diamine
PubChem CID129202816
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,5-N-diethyl-2-methylhexane-1,5-diamine
SMILESCCNCC(C)CCC(C)NCC
InChIInChI=1S/C11H26N2/c1-5-12-9-10(3)7-8-11(4)13-6-2/h10-13H,5-9H2,1-4H3
InChIKeyREAHCXOEPJAGTP-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methylhexan-2-amine
CID 24689543
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine
CID 126621384
N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
CID 142254763
N-ethyl-4-iodobutan-2-amine
CID 144808658
3-(ethylamino)butan-1-ol
CID 12636119
4-bromo-N-ethylbutan-2-amine
CID 83179522
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
CID 10181201
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;vanadium
CID 161302132
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-diethyl-2-methylhexane-1,5-diamine?
The IUPAC name of 1-N,5-N-diethyl-2-methylhexane-1,5-diamine (CID 129202816) is 1-N,5-N-diethyl-2-methylhexane-1,5-diamine.
What is the SMILES notation for 1-N,5-N-diethyl-2-methylhexane-1,5-diamine?
The canonical SMILES for 1-N,5-N-diethyl-2-methylhexane-1,5-diamine is CCNCC(C)CCC(C)NCC.
What is the InChIKey of 1-N,5-N-diethyl-2-methylhexane-1,5-diamine?
The InChIKey is REAHCXOEPJAGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-12-9-10(3)7-8-11(4)13-6-2/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N,5-N-diethyl-2-methylhexane-1,5-diamine?
1-N,5-N-diethyl-2-methylhexane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-diethyl-2-methylhexane-1,5-diamine is sourced from PubChem (CID 129202816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).