N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide

C13H25IN4O — CID 119129767

IUPACN,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESCN(C)C(=O)C1(CNC2=NCCCN2)CCCC1.I
InChIInChI=1S/C13H24N4O.HI/c1-17(2)11(18)13(6-3-4-7-13)10-16-12-14-8-5-9-15-12;/h3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyYZEXNKMHCKTTCZ-UHFFFAOYSA-N
MW380.27 g/mol
LogP1.19
Rot. Bonds3

About N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 119129767) has the molecular formula C13H25IN4O and a molecular weight of 380.27 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide
PubChem CID119129767
Molecular FormulaC13H25IN4O
Molecular Weight380.27 g/mol
Exact Mass380.11
IUPAC NameN,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESCN(C)C(=O)C1(CNC2=NCCCN2)CCCC1.I
InChIInChI=1S/C13H24N4O.HI/c1-17(2)11(18)13(6-3-4-7-13)10-16-12-14-8-5-9-15-12;/h3-10H2,1-2H3,(H2,14,15,16);1H
InChIKeyYZEXNKMHCKTTCZ-UHFFFAOYSA-N
XLogP1.19
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide (CID 119129767) is N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide is CN(C)C(=O)C1(CNC2=NCCCN2)CCCC1.I.
What is the InChIKey of N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide?
The InChIKey is YZEXNKMHCKTTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.HI/c1-17(2)11(18)13(6-3-4-7-13)10-16-12-14-8-5-9-15-12;/h3-10H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide?
N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 380.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 119129767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).