N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine

C19H31NO — CID 65304298

IUPACN-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
SMILESCC(C)Oc1ccc(CCC(C)(C)CCNC2CC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)21-18-9-5-16(6-10-18)11-12-19(3,4)13-14-20-17-7-8-17/h5-6,9-10,15,17,20H,7-8,11-14H2,1-4H3
InChIKeyCJHHUZBMIGBONY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds9

About N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine

N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine (PubChem CID 65304298) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
PubChem CID65304298
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
SMILESCC(C)Oc1ccc(CCC(C)(C)CCNC2CC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)21-18-9-5-16(6-10-18)11-12-19(3,4)13-14-20-17-7-8-17/h5-6,9-10,15,17,20H,7-8,11-14H2,1-4H3
InChIKeyCJHHUZBMIGBONY-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
CID 65304656
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
CID 62072234

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine (CID 65304298) is N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine is CC(C)Oc1ccc(CCC(C)(C)CCNC2CC2)cc1.
What is the InChIKey of N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The InChIKey is CJHHUZBMIGBONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)21-18-9-5-16(6-10-18)11-12-19(3,4)13-14-20-17-7-8-17/h5-6,9-10,15,17,20H,7-8,11-14H2,1-4H3.
What are the key properties of N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 65304298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).