N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine

C14H32N2O — CID 63070467

IUPACN'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
SMILESCCCCN(CCC(CN)OCC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-5-8-10-16(13(4)6-2)11-9-14(12-15)17-7-3/h13-14H,5-12,15H2,1-4H3
InChIKeyZNDGEKPTJHKGQD-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds11

About N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine

N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine (PubChem CID 63070467) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
PubChem CID63070467
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
SMILESCCCCN(CCC(CN)OCC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-5-8-10-16(13(4)6-2)11-9-14(12-15)17-7-3/h13-14H,5-12,15H2,1-4H3
InChIKeyZNDGEKPTJHKGQD-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
CID 102991675
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 63070283
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
N-butan-2-yl-N-[2-(2-chloroethoxy)ethyl]butan-1-amine
CID 63665042
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
ethane;2-ethoxybutan-1-amine
CID 176948064
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
2-ethoxy-3-octan-2-yloxypropan-1-amine
CID 63070633

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine (CID 63070467) is N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine is CCCCN(CCC(CN)OCC)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine?
The InChIKey is ZNDGEKPTJHKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-8-10-16(13(4)6-2)11-9-14(12-15)17-7-3/h13-14H,5-12,15H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine?
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine is sourced from PubChem (CID 63070467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).