N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine

C16H26N2 — CID 115244454

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(C)(C)CNCC2(CN)CC2)c1
InChIInChI=1S/C16H26N2/c1-13-5-4-6-14(9-13)15(2,3)11-18-12-16(10-17)7-8-16/h4-6,9,18H,7-8,10-12,17H2,1-3H3
InChIKeyXEPWJMVJFHOESK-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 115244454) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
PubChem CID115244454
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(C)(C)CNCC2(CN)CC2)c1
InChIInChI=1S/C16H26N2/c1-13-5-4-6-14(9-13)15(2,3)11-18-12-16(10-17)7-8-16/h4-6,9,18H,7-8,10-12,17H2,1-3H3
InChIKeyXEPWJMVJFHOESK-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine (CID 115244454) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(C)(C)CNCC2(CN)CC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is XEPWJMVJFHOESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-5-4-6-14(9-13)15(2,3)11-18-12-16(10-17)7-8-16/h4-6,9,18H,7-8,10-12,17H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 115244454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).