N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine

C17H30N2 — CID 64586415

IUPACN'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
SMILESCCCCN(CCNC(C)(C)CC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-14-19(16-11-9-8-10-12-16)15-13-18-17(3,4)6-2/h8-12,18H,5-7,13-15H2,1-4H3
InChIKeyZNPRRECFYRFWPT-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.07
Rot. Bonds9

About N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine

N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine (PubChem CID 64586415) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
PubChem CID64586415
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
SMILESCCCCN(CCNC(C)(C)CC)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-14-19(16-11-9-8-10-12-16)15-13-18-17(3,4)6-2/h8-12,18H,5-7,13-15H2,1-4H3
InChIKeyZNPRRECFYRFWPT-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-dibutylaniline;propane;prop-1-ene
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N,N-dibutylaniline;perchloric acid
CID 71443116
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
5-(N-butylanilino)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809636
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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine (CID 64586415) is N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine is CCCCN(CCNC(C)(C)CC)c1ccccc1.
What is the InChIKey of N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine?
The InChIKey is ZNPRRECFYRFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-14-19(16-11-9-8-10-12-16)15-13-18-17(3,4)6-2/h8-12,18H,5-7,13-15H2,1-4H3.
What are the key properties of N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine?
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 64586415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).