N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline

C16H26N2 — CID 115243941

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
SMILESCN(CC1(CN)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-15(2,3)13-5-7-14(8-6-13)18(4)12-16(11-17)9-10-16/h5-8H,9-12,17H2,1-4H3
InChIKeyNKUULUYFZZOSRR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.16
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline (PubChem CID 115243941) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
PubChem CID115243941
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
SMILESCN(CC1(CN)CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2/c1-15(2,3)13-5-7-14(8-6-13)18(4)12-16(11-17)9-10-16/h5-8H,9-12,17H2,1-4H3
InChIKeyNKUULUYFZZOSRR-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxy-N-methylaniline
CID 115243951
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline (CID 115243941) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline is CN(CC1(CN)CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline?
The InChIKey is NKUULUYFZZOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)13-5-7-14(8-6-13)18(4)12-16(11-17)9-10-16/h5-8H,9-12,17H2,1-4H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline is sourced from PubChem (CID 115243941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).