N-benzyl-2-methylpropan-2-amine;guanidine

C12H22N4 — CID 161475592

IUPACN-benzyl-2-methylpropan-2-amine;guanidine
SMILESCC(C)(C)NCc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C11H17N.CH5N3/c1-11(2,3)12-9-10-7-5-4-6-8-10;2-1(3)4/h4-8,12H,9H2,1-3H3;(H5,2,3,4)
InChIKeyWDRAJRXXMQELLO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.41
Rot. Bonds2

About N-benzyl-2-methylpropan-2-amine;guanidine

N-benzyl-2-methylpropan-2-amine;guanidine (PubChem CID 161475592) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-benzyl-2-methylpropan-2-amine;guanidine.

Molecular Properties

Compound NameN-benzyl-2-methylpropan-2-amine;guanidine
PubChem CID161475592
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-benzyl-2-methylpropan-2-amine;guanidine
SMILESCC(C)(C)NCc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C11H17N.CH5N3/c1-11(2,3)12-9-10-7-5-4-6-8-10;2-1(3)4/h4-8,12H,9H2,1-3H3;(H5,2,3,4)
InChIKeyWDRAJRXXMQELLO-UHFFFAOYSA-N
XLogP1.41
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
N-benzyl-2-methylpropan-2-amine;piperidin-4-amine
CID 158253019
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
2-(benzylamino)-2-pyridin-4-ylpropanamide
CID 54891502

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpropan-2-amine;guanidine?
The IUPAC name of N-benzyl-2-methylpropan-2-amine;guanidine (CID 161475592) is N-benzyl-2-methylpropan-2-amine;guanidine.
What is the SMILES notation for N-benzyl-2-methylpropan-2-amine;guanidine?
The canonical SMILES for N-benzyl-2-methylpropan-2-amine;guanidine is CC(C)(C)NCc1ccccc1.[H]N=C(N)N.
What is the InChIKey of N-benzyl-2-methylpropan-2-amine;guanidine?
The InChIKey is WDRAJRXXMQELLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH5N3/c1-11(2,3)12-9-10-7-5-4-6-8-10;2-1(3)4/h4-8,12H,9H2,1-3H3;(H5,2,3,4).
What are the key properties of N-benzyl-2-methylpropan-2-amine;guanidine?
N-benzyl-2-methylpropan-2-amine;guanidine has a molecular weight of 222.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropan-2-amine;guanidine is sourced from PubChem (CID 161475592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).