1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol

C10H21NO — CID 83905899

IUPAC1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
SMILESCC1CCCCC(C)C1(O)CN
InChIInChI=1S/C10H21NO/c1-8-5-3-4-6-9(2)10(8,12)7-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyPDNQISGQKPPTHQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds1

About 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol

1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol (PubChem CID 83905899) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
PubChem CID83905899
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
SMILESCC1CCCCC(C)C1(O)CN
InChIInChI=1S/C10H21NO/c1-8-5-3-4-6-9(2)10(8,12)7-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyPDNQISGQKPPTHQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
CID 83906952
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-ethyl-2,6-dimethylcyclohexan-1-ol
CID 86221800
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
[2-methyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 130847431
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
[2-(aminomethyl)-8-methylspiro[2.5]octan-2-yl]methanol
CID 63043612
2,6-bis(aminomethyl)adamantane-2,6-diol
CID 607158
(R)-[(1R,2R)-1-(aminomethyl)-2-methylcyclopropyl]-cyclopentylmethanol
CID 124522944

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol (CID 83905899) is 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol is CC1CCCCC(C)C1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol?
The InChIKey is PDNQISGQKPPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-3-4-6-9(2)10(8,12)7-11/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol?
1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol is sourced from PubChem (CID 83905899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).