3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide

C11H23N3 — CID 61441894

IUPAC3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCC)CC1CC1
InChIInChI=1S/C11H23N3/c1-3-6-14(8-10-4-5-10)7-9(2)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyIFNIOYIIHQDXBK-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.68
Rot. Bonds7

About 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide

3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide (PubChem CID 61441894) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
PubChem CID61441894
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCC)CC1CC1
InChIInChI=1S/C11H23N3/c1-3-6-14(8-10-4-5-10)7-9(2)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13)
InChIKeyIFNIOYIIHQDXBK-UHFFFAOYSA-N
XLogP1.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-[[cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370638
2-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanehydrazide
CID 63584517
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252334
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
N-(cyclopropylmethyl)-3-methyl-N-propylbutan-1-amine
CID 21355618
3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
CID 61437175
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide (CID 61441894) is 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CCC)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide?
The InChIKey is IFNIOYIIHQDXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-6-14(8-10-4-5-10)7-9(2)11(12)13/h9-10H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide?
3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 61441894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).