N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine

C24H44F2N4 — CID 145012107

IUPACN-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine
SMILESCC(C)(F)C1CCC(C2CCCN2C2NCNC(NCC3CCCCC3)C2F)CC1
InChIInChI=1S/C24H44F2N4/c1-24(2,26)19-12-10-18(11-13-19)20-9-6-14-30(20)23-21(25)22(28-16-29-23)27-15-17-7-4-3-5-8-17/h17-23,27-29H,3-16H2,1-2H3
InChIKeyYMWCYGKILAPYFF-UHFFFAOYSA-N
MW426.64 g/mol
LogP4.32
Rot. Bonds6

About N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine

N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine (PubChem CID 145012107) has the molecular formula C24H44F2N4 and a molecular weight of 426.64 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine
PubChem CID145012107
Molecular FormulaC24H44F2N4
Molecular Weight426.64 g/mol
Exact Mass426.35
IUPAC NameN-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine
SMILESCC(C)(F)C1CCC(C2CCCN2C2NCNC(NCC3CCCCC3)C2F)CC1
InChIInChI=1S/C24H44F2N4/c1-24(2,26)19-12-10-18(11-13-19)20-9-6-14-30(20)23-21(25)22(28-16-29-23)27-15-17-7-4-3-5-8-17/h17-23,27-29H,3-16H2,1-2H3
InChIKeyYMWCYGKILAPYFF-UHFFFAOYSA-N
XLogP4.32
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine (CID 145012107) is N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine is CC(C)(F)C1CCC(C2CCCN2C2NCNC(NCC3CCCCC3)C2F)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine?
The InChIKey is YMWCYGKILAPYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F2N4/c1-24(2,26)19-12-10-18(11-13-19)20-9-6-14-30(20)23-21(25)22(28-16-29-23)27-15-17-7-4-3-5-8-17/h17-23,27-29H,3-16H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine?
N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine has a molecular weight of 426.64 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-fluoro-6-[2-[4-(2-fluoropropan-2-yl)cyclohexyl]pyrrolidin-1-yl]-1,3-diazinan-4-amine is sourced from PubChem (CID 145012107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).