N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine

C14H32N2 — CID 65296059

IUPACN'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
SMILESCCCCN(CC)CCCC(C)(C)CCN
InChIInChI=1S/C14H32N2/c1-5-7-12-16(6-2)13-8-9-14(3,4)10-11-15/h5-13,15H2,1-4H3
InChIKeyDNEAYUOKJSDFOG-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds10

About N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine

N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine (PubChem CID 65296059) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
PubChem CID65296059
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
SMILESCCCCN(CC)CCCC(C)(C)CCN
InChIInChI=1S/C14H32N2/c1-5-7-12-16(6-2)13-8-9-14(3,4)10-11-15/h5-13,15H2,1-4H3
InChIKeyDNEAYUOKJSDFOG-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4,4-dimethyldecan-1-amine
CID 129028023
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
CID 65295973
3,3-dimethylpentadecan-1-amine
CID 81014127
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65295960
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
5-[butyl(ethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063075
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
4,4-dimethyltridecan-1-amine
CID 172686024
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The IUPAC name of N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine (CID 65296059) is N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine is CCCCN(CC)CCCC(C)(C)CCN.
What is the InChIKey of N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The InChIKey is DNEAYUOKJSDFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-7-12-16(6-2)13-8-9-14(3,4)10-11-15/h5-13,15H2,1-4H3.
What are the key properties of N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine is sourced from PubChem (CID 65296059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).