N-(2-acridin-9-ylethyl)-N-methylpropanimidamide

C19H21N3 — CID 102168415

IUPACN-(2-acridin-9-ylethyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H21N3/c1-3-19(20)22(2)13-12-14-15-8-4-6-10-17(15)21-18-11-7-5-9-16(14)18/h4-11,20H,3,12-13H2,1-2H3/b20-19+
InChIKeyGUDIVMAWEZZGCQ-FMQUCBEESA-N
MW291.40 g/mol
LogP4.25
Rot. Bonds4

About N-(2-acridin-9-ylethyl)-N-methylpropanimidamide

N-(2-acridin-9-ylethyl)-N-methylpropanimidamide (PubChem CID 102168415) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-acridin-9-ylethyl)-N-methylpropanimidamide.

Molecular Properties

Compound NameN-(2-acridin-9-ylethyl)-N-methylpropanimidamide
PubChem CID102168415
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(2-acridin-9-ylethyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H21N3/c1-3-19(20)22(2)13-12-14-15-8-4-6-10-17(15)21-18-11-7-5-9-16(14)18/h4-11,20H,3,12-13H2,1-2H3/b20-19+
InChIKeyGUDIVMAWEZZGCQ-FMQUCBEESA-N
XLogP4.25
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.25
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-acridin-9-ylpropyl(methyl)amino]-3-iminopropanoate
CID 158541655
N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;azane;chloroplatinum(1+);chloride
CID 91933857
methyl 4-[3-acridin-9-ylpropyl(methyl)amino]-4-iminobutanoate
CID 158541656
N-[2-(acridin-9-ylamino)ethyl]-N-methylpropanimidamide;1,3-diaminopropan-2-ol;platinum(2+);chloride;dinitrate
CID 71509746
2-[2-(acridin-9-ylamino)ethyl-propanimidoylamino]acetic acid
CID 71509906
9-butylacridine
CID 606127
acridine;9-propylacridine
CID 146450775
9-(8-acridin-9-yloctyl)acridine
CID 10504492
N-[(2-benzylphenyl)methyl]-N-methylpropanimidamide
CID 19099766
3-amino-4-[2-(diethylamino)ethyl]quinoline-2-carboxylic acid
CID 141225628
9-(4-methoxybutyl)acridine
CID 54573696
acridin-9-ylmethanamine;hydrochloride
CID 146014034

Frequently Asked Questions

What is the IUPAC name of N-(2-acridin-9-ylethyl)-N-methylpropanimidamide?
The IUPAC name of N-(2-acridin-9-ylethyl)-N-methylpropanimidamide (CID 102168415) is N-(2-acridin-9-ylethyl)-N-methylpropanimidamide.
What is the SMILES notation for N-(2-acridin-9-ylethyl)-N-methylpropanimidamide?
The canonical SMILES for N-(2-acridin-9-ylethyl)-N-methylpropanimidamide is [H]/N=C(\CC)N(C)CCc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-(2-acridin-9-ylethyl)-N-methylpropanimidamide?
The InChIKey is GUDIVMAWEZZGCQ-FMQUCBEESA-N. The full InChI is InChI=1S/C19H21N3/c1-3-19(20)22(2)13-12-14-15-8-4-6-10-17(15)21-18-11-7-5-9-16(14)18/h4-11,20H,3,12-13H2,1-2H3/b20-19+.
What are the key properties of N-(2-acridin-9-ylethyl)-N-methylpropanimidamide?
N-(2-acridin-9-ylethyl)-N-methylpropanimidamide has a molecular weight of 291.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acridin-9-ylethyl)-N-methylpropanimidamide is sourced from PubChem (CID 102168415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).