N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine

C19H32N2 — CID 63552828

IUPACN-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
SMILESCN(c1ccccc1CNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-19(2,3)20-15-16-11-9-10-14-18(16)21(4)17-12-7-5-6-8-13-17/h9-11,14,17,20H,5-8,12-13,15H2,1-4H3
InChIKeyVDWTWTFSGXORFL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.73
Rot. Bonds4

About N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine

N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine (PubChem CID 63552828) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
PubChem CID63552828
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
SMILESCN(c1ccccc1CNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C19H32N2/c1-19(2,3)20-15-16-11-9-10-14-18(16)21(4)17-12-7-5-6-8-13-17/h9-11,14,17,20H,5-8,12-13,15H2,1-4H3
InChIKeyVDWTWTFSGXORFL-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 63551947
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 64522590
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
N-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N-methyloxan-4-amine
CID 114848548
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine (CID 63552828) is N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine is CN(c1ccccc1CNC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine?
The InChIKey is VDWTWTFSGXORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-19(2,3)20-15-16-11-9-10-14-18(16)21(4)17-12-7-5-6-8-13-17/h9-11,14,17,20H,5-8,12-13,15H2,1-4H3.
What are the key properties of N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine?
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine has a molecular weight of 288.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 63552828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).