N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide

C17H32N6O — CID 123508522

IUPACN-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide
SMILES[H]/N=C(/C(C/C(C)=N/[H])/C(N)=N/C(C)=O)N1CCC(NCC(C)C)CC1
InChIInChI=1S/C17H32N6O/c1-11(2)10-21-14-5-7-23(8-6-14)17(20)15(9-12(3)18)16(19)22-13(4)24/h11,14-15,18,20-21H,5-10H2,1-4H3,(H2,19,22,24)/b18-12+,20-17-
InChIKeyHDECZUSADMIPTR-WGPAJMSDSA-N
MW336.48 g/mol
LogP1.62
Rot. Bonds7

About N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide

N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide (PubChem CID 123508522) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide.

Molecular Properties

Compound NameN-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide
PubChem CID123508522
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC NameN-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide
SMILES[H]/N=C(/C(C/C(C)=N/[H])/C(N)=N/C(C)=O)N1CCC(NCC(C)C)CC1
InChIInChI=1S/C17H32N6O/c1-11(2)10-21-14-5-7-23(8-6-14)17(20)15(9-12(3)18)16(19)22-13(4)24/h11,14-15,18,20-21H,5-10H2,1-4H3,(H2,19,22,24)/b18-12+,20-17-
InChIKeyHDECZUSADMIPTR-WGPAJMSDSA-N
XLogP1.62
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide?
The IUPAC name of N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide (CID 123508522) is N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide.
What is the SMILES notation for N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide?
The canonical SMILES for N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide is [H]/N=C(/C(C/C(C)=N/[H])/C(N)=N/C(C)=O)N1CCC(NCC(C)C)CC1.
What is the InChIKey of N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide?
The InChIKey is HDECZUSADMIPTR-WGPAJMSDSA-N. The full InChI is InChI=1S/C17H32N6O/c1-11(2)10-21-14-5-7-23(8-6-14)17(20)15(9-12(3)18)16(19)22-13(4)24/h11,14-15,18,20-21H,5-10H2,1-4H3,(H2,19,22,24)/b18-12+,20-17-.
What are the key properties of N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide?
N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide has a molecular weight of 336.48 g/mol, XLogP of 1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide is sourced from PubChem (CID 123508522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).