1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

C14H27F3N2 — CID 64553128

IUPAC1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCCCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C14H27F3N2/c1-2-10-19(11-9-14(15,16)17)13(12-18)7-5-3-4-6-8-13/h2-12,18H2,1H3
InChIKeyDOJWBVCNUHMMSW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.70
Rot. Bonds6

About 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (PubChem CID 64553128) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
PubChem CID64553128
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCCCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C14H27F3N2/c1-2-10-19(11-9-14(15,16)17)13(12-18)7-5-3-4-6-8-13/h2-12,18H2,1H3
InChIKeyDOJWBVCNUHMMSW-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64552919
1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552096
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 115513355
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115513364
1-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylcyclopentan-1-amine
CID 62009346
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (CID 64553128) is 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is CCCN(CCC(F)(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The InChIKey is DOJWBVCNUHMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-2-10-19(11-9-14(15,16)17)13(12-18)7-5-3-4-6-8-13/h2-12,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is sourced from PubChem (CID 64553128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).