N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide

C14H29N5 — CID 176522350

IUPACN-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N(C)CCCCC)N1CCCC1CC
InChIInChI=1S/C14H29N5/c1-4-6-7-10-18(3)13(15)17-14(16)19-11-8-9-12(19)5-2/h12H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyDEQBUQFLBKJFFX-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.23
Rot. Bonds5

About N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide

N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide (PubChem CID 176522350) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide
PubChem CID176522350
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC NameN-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N(C)CCCCC)N1CCCC1CC
InChIInChI=1S/C14H29N5/c1-4-6-7-10-18(3)13(15)17-14(16)19-11-8-9-12(19)5-2/h12H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyDEQBUQFLBKJFFX-UHFFFAOYSA-N
XLogP2.23
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide (CID 176522350) is N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N(C)CCCCC)N1CCCC1CC.
What is the InChIKey of N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide?
The InChIKey is DEQBUQFLBKJFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-4-6-7-10-18(3)13(15)17-14(16)19-11-8-9-12(19)5-2/h12H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide?
N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[methyl(pentyl)amino]methylidene]-2-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 176522350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).