N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide

C12H25N3O2 — CID 70269935

IUPACN'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide
SMILESCC(N)=NC(N)CCCCC1COC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-9(13)15-11(14)7-5-4-6-10-8-16-12(2,3)17-10/h10-11H,4-8,14H2,1-3H3,(H2,13,15)
InChIKeyQPWPYVGDSKXDQB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.36
Rot. Bonds6

About N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide

N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide (PubChem CID 70269935) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide
PubChem CID70269935
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide
SMILESCC(N)=NC(N)CCCCC1COC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-9(13)15-11(14)7-5-4-6-10-8-16-12(2,3)17-10/h10-11H,4-8,14H2,1-3H3,(H2,13,15)
InChIKeyQPWPYVGDSKXDQB-UHFFFAOYSA-N
XLogP1.36
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
4-(4,4-dimethoxybutyl)-2,2-dimethyl-1,3-dioxolane
CID 13319189
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516
(4R)-4-(4-azidobutyl)-2,2-dimethyl-1,3-dioxolane
CID 46868038
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpentan-2-one
CID 53392738

Frequently Asked Questions

What is the IUPAC name of N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide?
The IUPAC name of N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide (CID 70269935) is N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide.
What is the SMILES notation for N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide?
The canonical SMILES for N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide is CC(N)=NC(N)CCCCC1COC(C)(C)O1.
What is the InChIKey of N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide?
The InChIKey is QPWPYVGDSKXDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(13)15-11(14)7-5-4-6-10-8-16-12(2,3)17-10/h10-11H,4-8,14H2,1-3H3,(H2,13,15).
What are the key properties of N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide?
N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentyl]ethanimidamide is sourced from PubChem (CID 70269935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).