1-[2-(aminomethyl)cycloheptyl]propan-2-amine

C11H24N2 — CID 156725506

IUPAC1-[2-(aminomethyl)cycloheptyl]propan-2-amine
SMILESCC(N)CC1CCCCCC1CN
InChIInChI=1S/C11H24N2/c1-9(13)7-10-5-3-2-4-6-11(10)8-12/h9-11H,2-8,12-13H2,1H3
InChIKeySCQITUQKNLGHDV-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-(aminomethyl)cycloheptyl]propan-2-amine

1-[2-(aminomethyl)cycloheptyl]propan-2-amine (PubChem CID 156725506) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cycloheptyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(aminomethyl)cycloheptyl]propan-2-amine
PubChem CID156725506
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-[2-(aminomethyl)cycloheptyl]propan-2-amine
SMILESCC(N)CC1CCCCCC1CN
InChIInChI=1S/C11H24N2/c1-9(13)7-10-5-3-2-4-6-11(10)8-12/h9-11H,2-8,12-13H2,1H3
InChIKeySCQITUQKNLGHDV-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylpentyl)cyclohexyl]methanamine
CID 81009598
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
(2-methylcyclodecyl)methanamine
CID 163635360
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
[2-(cyclohexylmethyl)cycloheptyl]methanamine
CID 81011169
[2-(2-methylpropylsulfanyl)cycloheptyl]methanamine
CID 43529827
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
CID 96620784
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
CID 59745597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cycloheptyl]propan-2-amine?
The IUPAC name of 1-[2-(aminomethyl)cycloheptyl]propan-2-amine (CID 156725506) is 1-[2-(aminomethyl)cycloheptyl]propan-2-amine.
What is the SMILES notation for 1-[2-(aminomethyl)cycloheptyl]propan-2-amine?
The canonical SMILES for 1-[2-(aminomethyl)cycloheptyl]propan-2-amine is CC(N)CC1CCCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cycloheptyl]propan-2-amine?
The InChIKey is SCQITUQKNLGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(13)7-10-5-3-2-4-6-11(10)8-12/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)cycloheptyl]propan-2-amine?
1-[2-(aminomethyl)cycloheptyl]propan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cycloheptyl]propan-2-amine is sourced from PubChem (CID 156725506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).