N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine

C18H30N2O — CID 61440569

IUPACN-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-4-11-20(13-15-5-6-15)18(12-19)16-7-9-17(10-8-16)21-14(2)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3
InChIKeyAQRIPDBYDHFOND-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.60
Rot. Bonds9

About N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine (PubChem CID 61440569) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
PubChem CID61440569
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-4-11-20(13-15-5-6-15)18(12-19)16-7-9-17(10-8-16)21-14(2)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3
InChIKeyAQRIPDBYDHFOND-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63956587

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine (CID 61440569) is N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine is CCCN(CC1CC1)C(CN)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine?
The InChIKey is AQRIPDBYDHFOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-20(13-15-5-6-15)18(12-19)16-7-9-17(10-8-16)21-14(2)3/h7-10,14-15,18H,4-6,11-13,19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 61440569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).