3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide

C16H25N3 — CID 62778447

IUPAC3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CC1CC1)C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)19(11-13-8-9-13)15(10-16(17)18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H3,17,18)
InChIKeyMDTUDVYMFRVKJX-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.17
Rot. Bonds7

About 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide

3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide (PubChem CID 62778447) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
PubChem CID62778447
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CC1CC1)C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)19(11-13-8-9-13)15(10-16(17)18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H3,17,18)
InChIKeyMDTUDVYMFRVKJX-UHFFFAOYSA-N
XLogP3.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.17
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

3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
CID 62411806
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
3-phenylbutanimidamide;hydrochloride
CID 69158161
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103465120
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
CID 62779599
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
CID 107480304

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide (CID 62778447) is 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(CC1CC1)C(C)C.
What is the InChIKey of 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The InChIKey is MDTUDVYMFRVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)19(11-13-8-9-13)15(10-16(17)18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H3,17,18).
What are the key properties of 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide?
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide has a molecular weight of 259.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 62778447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).