N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

C17H27N — CID 66026917

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(CC2(CNCC(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)11-18-12-17(7-8-17)10-16-9-14(3)5-6-15(16)4/h5-6,9,13,18H,7-8,10-12H2,1-4H3
InChIKeyJQWDNRWNHHMWRY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.87
Rot. Bonds6

About N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 66026917) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID66026917
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(C)c(CC2(CNCC(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)11-18-12-17(7-8-17)10-16-9-14(3)5-6-15(16)4/h5-6,9,13,18H,7-8,10-12H2,1-4H3
InChIKeyJQWDNRWNHHMWRY-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[1-[(2,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194883
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024265
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 66026917) is N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is Cc1ccc(C)c(CC2(CNCC(C)C)CC2)c1.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JQWDNRWNHHMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)11-18-12-17(7-8-17)10-16-9-14(3)5-6-15(16)4/h5-6,9,13,18H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66026917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).