1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide

C17H26N2O — CID 115452440

IUPAC1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(CN)CC2)c(C(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)13-5-6-15(14(9-13)12(3)4)19-16(20)17(10-18)7-8-17/h5-6,9,11-12H,7-8,10,18H2,1-4H3,(H,19,20)
InChIKeyYDUBAMJJTUWUDF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.61
Rot. Bonds5

About 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452440) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID115452440
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(CN)CC2)c(C(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)13-5-6-15(14(9-13)12(3)4)19-16(20)17(10-18)7-8-17/h5-6,9,11-12H,7-8,10,18H2,1-4H3,(H,19,20)
InChIKeyYDUBAMJJTUWUDF-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
CID 106111576
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440
methyl 2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoate
CID 115452631
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide (CID 115452440) is 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide is CC(C)c1ccc(NC(=O)C2(CN)CC2)c(C(C)C)c1.
What is the InChIKey of 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YDUBAMJJTUWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)13-5-6-15(14(9-13)12(3)4)19-16(20)17(10-18)7-8-17/h5-6,9,11-12H,7-8,10,18H2,1-4H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).