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

C16H27N3 — CID 55117825

IUPAC3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CC(C)C)C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)11-19(13(3)4)15(10-16(17)18)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H3,17,18)
InChIKeyBDKLLGIMTLDRBF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.42
Rot. Bonds7

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

3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide (PubChem CID 55117825) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
PubChem CID55117825
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CC(C)C)C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)11-19(13(3)4)15(10-16(17)18)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H3,17,18)
InChIKeyBDKLLGIMTLDRBF-UHFFFAOYSA-N
XLogP3.42
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.42
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-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 62779114
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
CID 62779599
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
3-(4-methylpentoxy)-3-phenylpropanimidamide
CID 115002951
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
CID 107480304
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
4-amino-4-imino-2-phenylbutanoic acid
CID 139654605
3-(3-benzoylphenyl)butanimidamide;hydrochloride
CID 141113823

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide (CID 55117825) is 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(CC(C)C)C(C)C.
What is the InChIKey of 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide?
The InChIKey is BDKLLGIMTLDRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)11-19(13(3)4)15(10-16(17)18)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H3,17,18).
What are the key properties of 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide?
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide has a molecular weight of 261.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 55117825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).