N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine

C19H32N2 — CID 62411806

IUPACN'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-15(2)21(14-16-11-12-16)18(13-20-19(3,4)5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3
InChIKeyITCYLFFUTMBIRU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds7

About N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine

N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62411806) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62411806
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2/c1-15(2)21(14-16-11-12-16)18(13-20-19(3,4)5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3
InChIKeyITCYLFFUTMBIRU-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103465120
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
CID 79480923
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 115562272
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine (CID 62411806) is N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine is CC(C)N(CC1CC1)C(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is ITCYLFFUTMBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)21(14-16-11-12-16)18(13-20-19(3,4)5)17-9-7-6-8-10-17/h6-10,15-16,18,20H,11-14H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine?
N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 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-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62411806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).