N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H21N3 — CID 131145257

IUPACN-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)CCNC1=NCCCN1
InChIInChI=1S/C10H21N3/c1-10(2,3)5-8-13-9-11-6-4-7-12-9/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyBGTWOMRNNFOPMT-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.36
Rot. Bonds2

About N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 131145257) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID131145257
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)CCNC1=NCCCN1
InChIInChI=1S/C10H21N3/c1-10(2,3)5-8-13-9-11-6-4-7-12-9/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyBGTWOMRNNFOPMT-UHFFFAOYSA-N
XLogP1.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Dimethylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112000412
1-(3,3-Dimethylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 112000413
1-(3,3-Dimethylbutyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112000414
1-(3,3-Dimethylbutyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 112000415
N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513113
N-(3-fluoropropyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513115
N-(2-fluoro-2-methylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145908179
N-ethyl-1,1-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-amine
CID 3290336
1-methyl-N-(2-methylpropyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 20622495
1-(3,3-Dimethylbutyl)-1,2,3-trimethylguanidine
CID 20755638
1,2,3-Tributylguanidine
CID 21841885
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine
CID 23203090

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 131145257) is N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(C)CCNC1=NCCCN1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is BGTWOMRNNFOPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2,3)5-8-13-9-11-6-4-7-12-9/h4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 183.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 131145257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).