5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine

C11H21N3 — CID 130513110

IUPAC5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC(C)=CCNC1=NCC(C)(C)CN1
InChIInChI=1S/C11H21N3/c1-9(2)5-6-12-10-13-7-11(3,4)8-14-10/h5H,6-8H2,1-4H3,(H2,12,13,14)
InChIKeyOFGUYFZTMCPENC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.53
Rot. Bonds2

About 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine

5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513110) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513110
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC(C)=CCNC1=NCC(C)(C)CN1
InChIInChI=1S/C11H21N3/c1-9(2)5-6-12-10-13-7-11(3,4)8-14-10/h5H,6-8H2,1-4H3,(H2,12,13,14)
InChIKeyOFGUYFZTMCPENC-UHFFFAOYSA-N
XLogP1.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
N-prenylagmatine
CID 25203666
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139
1-(5-Aminopentyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780048
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butylazanium
CID 21601572
1-(3-Aminopropyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879372

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513110) is 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine is CC(C)=CCNC1=NCC(C)(C)CN1.
What is the InChIKey of 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is OFGUYFZTMCPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-6-12-10-13-7-11(3,4)8-14-10/h5H,6-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine?
5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).