N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine

C15H32N2 — CID 107400773

IUPACN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(CC(C)CNC(C)(C)C)CC1CCC1
InChIInChI=1S/C15H32N2/c1-6-17(12-14-8-7-9-14)11-13(2)10-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeySRLVZMIEQHVSRH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine

N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine (PubChem CID 107400773) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
PubChem CID107400773
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(CC(C)CNC(C)(C)C)CC1CCC1
InChIInChI=1S/C15H32N2/c1-6-17(12-14-8-7-9-14)11-13(2)10-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeySRLVZMIEQHVSRH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 63656930
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
4-[[ethyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79470848
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
1-N-tert-butyl-2-N-(cyclopentylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 63657347
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine (CID 107400773) is N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine is CCN(CC(C)CNC(C)(C)C)CC1CCC1.
What is the InChIKey of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine?
The InChIKey is SRLVZMIEQHVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-17(12-14-8-7-9-14)11-13(2)10-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine?
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 107400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).