1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine

C14H29FN2 — CID 81106044

IUPAC1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CCCF)C1(CN)CCCCCC1
InChIInChI=1S/C14H29FN2/c1-2-11-17(12-7-10-15)14(13-16)8-5-3-4-6-9-14/h2-13,16H2,1H3
InChIKeyGREMYXBVEATQGV-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.11
Rot. Bonds7

About 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine

1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine (PubChem CID 81106044) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine
PubChem CID81106044
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CCCF)C1(CN)CCCCCC1
InChIInChI=1S/C14H29FN2/c1-2-11-17(12-7-10-15)14(13-16)8-5-3-4-6-9-14/h2-13,16H2,1H3
InChIKeyGREMYXBVEATQGV-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine (CID 81106044) is 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine is CCCN(CCCF)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine?
The InChIKey is GREMYXBVEATQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-2-11-17(12-7-10-15)14(13-16)8-5-3-4-6-9-14/h2-13,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine has a molecular weight of 244.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluoropropyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 81106044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).