N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine

C17H25NO — CID 129295885

IUPACN-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine
SMILESC=C1CC1N(C)CCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO/c1-13(2)19-16-9-7-15(8-10-16)6-5-11-18(4)17-12-14(17)3/h7-10,13,17H,3,5-6,11-12H2,1-2,4H3
InChIKeyQFLVRCOQSVYARW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.67
Rot. Bonds7

About N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine

N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine (PubChem CID 129295885) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine
PubChem CID129295885
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine
SMILESC=C1CC1N(C)CCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO/c1-13(2)19-16-9-7-15(8-10-16)6-5-11-18(4)17-12-14(17)3/h7-10,13,17H,3,5-6,11-12H2,1-2,4H3
InChIKeyQFLVRCOQSVYARW-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
N-propan-2-yl-5-(4-propan-2-yloxyphenyl)pent-1-en-2-amine
CID 170569416
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine (CID 129295885) is N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine is C=C1CC1N(C)CCCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine?
The InChIKey is QFLVRCOQSVYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)19-16-9-7-15(8-10-16)6-5-11-18(4)17-12-14(17)3/h7-10,13,17H,3,5-6,11-12H2,1-2,4H3.
What are the key properties of N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine?
N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 129295885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).