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

C18H29NO — CID 65304300

IUPACN-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
SMILESCC(CCNC1CC1)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-10-6-16(7-11-18)5-4-15(3)12-13-19-17-8-9-17/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13H2,1-3H3
InChIKeyMJTZFWGVTCGVFZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds9

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

N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine (PubChem CID 65304300) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
PubChem CID65304300
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
SMILESCC(CCNC1CC1)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-10-6-16(7-11-18)5-4-15(3)12-13-19-17-8-9-17/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13H2,1-3H3
InChIKeyMJTZFWGVTCGVFZ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 94650228
2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine (CID 65304300) is N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine is CC(CCNC1CC1)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
The InChIKey is MJTZFWGVTCGVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-18-10-6-16(7-11-18)5-4-15(3)12-13-19-17-8-9-17/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine?
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 65304300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).