N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine

C18H30N2 — CID 65083143

IUPACN-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
SMILESCN(C)Cc1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-18(2)12-7-9-16(11-13-18)19-17-10-6-5-8-15(17)14-20(3)4/h5-6,8,10,16,19H,7,9,11-14H2,1-4H3
InChIKeyODDKJDDAQMDMQY-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine

N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083143) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65083143
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
SMILESCN(C)Cc1ccccc1NC1CCCC(C)(C)CC1
InChIInChI=1S/C18H30N2/c1-18(2)12-7-9-16(11-13-18)19-17-10-6-5-8-15(17)14-20(3)4/h5-6,8,10,16,19H,7,9,11-14H2,1-4H3
InChIKeyODDKJDDAQMDMQY-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Trimipramine
CID 5584
2-Amino-5-(diethylamino)toluene
CID 67364
Depramine
CID 67534
N,N'-Di-o-tolylethylenediamine
CID 66759
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
2-Methylindoline
CID 23305
Didesmethylimipramine
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2,N-Dimethylaniline
CID 69137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine (CID 65083143) is N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine is CN(C)Cc1ccccc1NC1CCCC(C)(C)CC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is ODDKJDDAQMDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2)12-7-9-16(11-13-18)19-17-10-6-5-8-15(17)14-20(3)4/h5-6,8,10,16,19H,7,9,11-14H2,1-4H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine?
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).