1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine

C19H32N2 — CID 63467781

IUPAC1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-12-21(13-15-6-7-15)14-18(20)16-8-10-17(11-9-16)19(2,3)4/h8-11,15,18H,5-7,12-14,20H2,1-4H3
InChIKeyKOVSXJZEYPHOET-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.11
Rot. Bonds7

About 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine

1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 63467781) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
PubChem CID63467781
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)CC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-12-21(13-15-6-7-15)14-18(20)16-8-10-17(11-9-16)19(2,3)4/h8-11,15,18H,5-7,12-14,20H2,1-4H3
InChIKeyKOVSXJZEYPHOET-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine (CID 63467781) is 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine is CCCN(CC1CC1)CC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is KOVSXJZEYPHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-21(13-15-6-7-15)14-18(20)16-8-10-17(11-9-16)19(2,3)4/h8-11,15,18H,5-7,12-14,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 63467781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).