N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine

C15H27F2N — CID 114224311

IUPACN-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C15H27F2N/c1-3-9-18-12(2)14(7-8-14)10-13-5-4-6-15(16,17)11-13/h12-13,18H,3-11H2,1-2H3
InChIKeyDYXSUFRJRBQJTD-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds6

About N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine

N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine (PubChem CID 114224311) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine
PubChem CID114224311
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC NameN-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C15H27F2N/c1-3-9-18-12(2)14(7-8-14)10-13-5-4-6-15(16,17)11-13/h12-13,18H,3-11H2,1-2H3
InChIKeyDYXSUFRJRBQJTD-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine (CID 114224311) is N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(CC2CCCC(F)(F)C2)CC1.
What is the InChIKey of N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine?
The InChIKey is DYXSUFRJRBQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-3-9-18-12(2)14(7-8-14)10-13-5-4-6-15(16,17)11-13/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3,3-difluorocyclohexyl)methyl]cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 114224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).