N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

C14H26N4O — CID 69492528

IUPACN-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCCN)CC1
InChIInChI=1S/C14H26N4O/c1-11-16-8-2-10-18(11)13-5-3-12(4-6-13)14(19)17-9-7-15/h12-13H,2-10,15H2,1H3,(H,17,19)
InChIKeyGOKBEYUXOFNVJW-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.74
Rot. Bonds4

About N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide

N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 69492528) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
PubChem CID69492528
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide
SMILESCC1=NCCCN1C1CCC(C(=O)NCCN)CC1
InChIInChI=1S/C14H26N4O/c1-11-16-8-2-10-18(11)13-5-3-12(4-6-13)14(19)17-9-7-15/h12-13H,2-10,15H2,1H3,(H,17,19)
InChIKeyGOKBEYUXOFNVJW-UHFFFAOYSA-N
XLogP0.74
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide (CID 69492528) is N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is CC1=NCCCN1C1CCC(C(=O)NCCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GOKBEYUXOFNVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11-16-8-2-10-18(11)13-5-3-12(4-6-13)14(19)17-9-7-15/h12-13H,2-10,15H2,1H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69492528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).