[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine

C14H21N3 — CID 84794838

IUPAC[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine
SMILESCN1C2CC1CN(Cc1ccc(CN)cc1)C2
InChIInChI=1S/C14H21N3/c1-16-13-6-14(16)10-17(9-13)8-12-4-2-11(7-15)3-5-12/h2-5,13-14H,6-10,15H2,1H3
InChIKeyDPKAVQQCOLRBGF-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.03
Rot. Bonds3

About [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine

[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine (PubChem CID 84794838) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine
PubChem CID84794838
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine
SMILESCN1C2CC1CN(Cc1ccc(CN)cc1)C2
InChIInChI=1S/C14H21N3/c1-16-13-6-14(16)10-17(9-13)8-12-4-2-11(7-15)3-5-12/h2-5,13-14H,6-10,15H2,1H3
InChIKeyDPKAVQQCOLRBGF-UHFFFAOYSA-N
XLogP1.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 50896418
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]methanamine
CID 82364080
2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
CID 105347939
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]methanamine
CID 84786236
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)aniline
CID 83817821
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine (CID 84794838) is [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine is CN1C2CC1CN(Cc1ccc(CN)cc1)C2.
What is the InChIKey of [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine?
The InChIKey is DPKAVQQCOLRBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-13-6-14(16)10-17(9-13)8-12-4-2-11(7-15)3-5-12/h2-5,13-14H,6-10,15H2,1H3.
What are the key properties of [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine?
[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 84794838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).