4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide

C14H21N3 — CID 61441154

IUPAC4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCC)CC2CC2)cc1
InChIInChI=1S/C14H21N3/c1-2-9-17(10-11-3-4-11)13-7-5-12(6-8-13)14(15)16/h5-8,11H,2-4,9-10H2,1H3,(H3,15,16)
InChIKeyUWRLTAMFJHOGIM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds6

About 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide

4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide (PubChem CID 61441154) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
PubChem CID61441154
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCC)CC2CC2)cc1
InChIInChI=1S/C14H21N3/c1-2-9-17(10-11-3-4-11)13-7-5-12(6-8-13)14(15)16/h5-8,11H,2-4,9-10H2,1H3,(H3,15,16)
InChIKeyUWRLTAMFJHOGIM-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
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

4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
CID 63816141
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide (CID 61441154) is 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCC)CC2CC2)cc1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
The InChIKey is UWRLTAMFJHOGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-9-17(10-11-3-4-11)13-7-5-12(6-8-13)14(15)16/h5-8,11H,2-4,9-10H2,1H3,(H3,15,16).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide?
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 61441154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).