N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide

C12H27N3 — CID 147842617

IUPACN-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide
SMILESCCN(CC)CC(C)/N=C/NC(C)(C)C
InChIInChI=1S/C12H27N3/c1-7-15(8-2)9-11(3)13-10-14-12(4,5)6/h10-11H,7-9H2,1-6H3,(H,13,14)
InChIKeyHTGOYRJKZYJIND-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.13
Rot. Bonds6

About N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide

N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide (PubChem CID 147842617) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide
PubChem CID147842617
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide
SMILESCCN(CC)CC(C)/N=C/NC(C)(C)C
InChIInChI=1S/C12H27N3/c1-7-15(8-2)9-11(3)13-10-14-12(4,5)6/h10-11H,7-9H2,1-6H3,(H,13,14)
InChIKeyHTGOYRJKZYJIND-UHFFFAOYSA-N
XLogP2.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
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

2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-tert-butylmethanimidamide
CID 153452857
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
(N-tert-butyl-C-methylcarbonimidoyl)-[1-(diethylamino)propan-2-yl]azanide;copper(1+)
CID 153452818
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
N,N-diethyl-2,3-dimethylbutan-1-amine;ethane
CID 144788920
CID 174643223
CID 174643223
N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
CID 138647215
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide?
The IUPAC name of N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide (CID 147842617) is N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide.
What is the SMILES notation for N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide?
The canonical SMILES for N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide is CCN(CC)CC(C)/N=C/NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide?
The InChIKey is HTGOYRJKZYJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-7-15(8-2)9-11(3)13-10-14-12(4,5)6/h10-11H,7-9H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide?
N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[1-(diethylamino)propan-2-yl]methanimidamide is sourced from PubChem (CID 147842617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).