N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide

C9H20N2 — CID 58320128

IUPACN-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide
SMILESC/N=C/N(C(C)C)C(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(2)11(7-10-6)9(3,4)5/h7-8H,1-6H3/b10-7+
InChIKeyKCBZSMSNVQZJKR-JXMROGBWSA-N
MW156.27 g/mol
LogP2.15
Rot. Bonds2

About N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide

N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide (PubChem CID 58320128) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide
PubChem CID58320128
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide
SMILESC/N=C/N(C(C)C)C(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(2)11(7-10-6)9(3,4)5/h7-8H,1-6H3/b10-7+
InChIKeyKCBZSMSNVQZJKR-JXMROGBWSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
1,3-Ditert-butyl-4,5-dihydroimidazol-1-ium
CID 499190
1,3-Di-t-butyl-4,5-dihydroimidazolium chloride
CID 11356426
N,N,N'-tri(propan-2-yl)methanimidamide
CID 12175794
1,3-di(propan-2-yl)-5,6-dihydro-4H-pyrimidin-1-ium
CID 85970145
butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate
CID 102426957
(N'-tert-butyl-N,N-diethylcarbamimidoyl)selanyllithium
CID 139239963
[Di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
CID 11057444
1-Tert-butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 12477030
2-Tert-butyl-1,1,3,3-tetraethylguanidine
CID 12820357
N-methyl-N,N'-di(propan-2-yl)methanimidamide
CID 13860850
1,1-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 18625024

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide (CID 58320128) is N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide is C/N=C/N(C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is KCBZSMSNVQZJKR-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)11(7-10-6)9(3,4)5/h7-8H,1-6H3/b10-7+.
What are the key properties of N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide?
N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 58320128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).