1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine

C24H42FN5 — CID 163645785

IUPAC1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine
SMILESCCC(CCc1ccccc1)NCC1NC(N)N(C2CCCCC2)C(C(C)(C)F)N1
InChIInChI=1S/C24H42FN5/c1-4-19(16-15-18-11-7-5-8-12-18)27-17-21-28-22(24(2,3)25)30(23(26)29-21)20-13-9-6-10-14-20/h5,7-8,11-12,19-23,27-29H,4,6,9-10,13-17,26H2,1-3H3
InChIKeyIICGZCANOQUMND-UHFFFAOYSA-N
MW419.63 g/mol
LogP3.46
Rot. Bonds9

About 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine

1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine (PubChem CID 163645785) has the molecular formula C24H42FN5 and a molecular weight of 419.63 g/mol. Its IUPAC name is 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine
PubChem CID163645785
Molecular FormulaC24H42FN5
Molecular Weight419.63 g/mol
Exact Mass419.34
IUPAC Name1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine
SMILESCCC(CCc1ccccc1)NCC1NC(N)N(C2CCCCC2)C(C(C)(C)F)N1
InChIInChI=1S/C24H42FN5/c1-4-19(16-15-18-11-7-5-8-12-18)27-17-21-28-22(24(2,3)25)30(23(26)29-21)20-13-9-6-10-14-20/h5,7-8,11-12,19-23,27-29H,4,6,9-10,13-17,26H2,1-3H3
InChIKeyIICGZCANOQUMND-UHFFFAOYSA-N
XLogP3.46
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.63
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine?
The IUPAC name of 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine (CID 163645785) is 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine.
What is the SMILES notation for 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine?
The canonical SMILES for 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine is CCC(CCc1ccccc1)NCC1NC(N)N(C2CCCCC2)C(C(C)(C)F)N1.
What is the InChIKey of 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine?
The InChIKey is IICGZCANOQUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42FN5/c1-4-19(16-15-18-11-7-5-8-12-18)27-17-21-28-22(24(2,3)25)30(23(26)29-21)20-13-9-6-10-14-20/h5,7-8,11-12,19-23,27-29H,4,6,9-10,13-17,26H2,1-3H3.
What are the key properties of 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine?
1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine has a molecular weight of 419.63 g/mol, XLogP of 3.46, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(2-fluoropropan-2-yl)-4-[(1-phenylpentan-3-ylamino)methyl]-1,3,5-triazinan-2-amine is sourced from PubChem (CID 163645785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).