1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine

C13H27FN2 — CID 81106043

IUPAC1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine
SMILESCCN(CCCF)C1(CN)CCCCCC1
InChIInChI=1S/C13H27FN2/c1-2-16(11-7-10-14)13(12-15)8-5-3-4-6-9-13/h2-12,15H2,1H3
InChIKeyLHIQAMIOWRUGPM-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.72
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine (PubChem CID 81106043) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine
PubChem CID81106043
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine
SMILESCCN(CCCF)C1(CN)CCCCCC1
InChIInChI=1S/C13H27FN2/c1-2-16(11-7-10-14)13(12-15)8-5-3-4-6-9-13/h2-12,15H2,1H3
InChIKeyLHIQAMIOWRUGPM-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine (CID 81106043) is 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine is CCN(CCCF)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine?
The InChIKey is LHIQAMIOWRUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-2-16(11-7-10-14)13(12-15)8-5-3-4-6-9-13/h2-12,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine has a molecular weight of 230.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cycloheptan-1-amine is sourced from PubChem (CID 81106043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).