N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide

C10H21N5O — CID 90084956

IUPACN-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCN=C(N)N)CC1
InChIInChI=1S/C10H21N5O/c1-15-6-2-8(3-7-15)9(16)13-4-5-14-10(11)12/h8H,2-7H2,1H3,(H,13,16)(H4,11,12,14)
InChIKeyHCMHTUQICXTHBV-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.28
Rot. Bonds4

About N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide

N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 90084956) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID90084956
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCN=C(N)N)CC1
InChIInChI=1S/C10H21N5O/c1-15-6-2-8(3-7-15)9(16)13-4-5-14-10(11)12/h8H,2-7H2,1H3,(H,13,16)(H4,11,12,14)
InChIKeyHCMHTUQICXTHBV-UHFFFAOYSA-N
XLogP-1.28
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide (CID 90084956) is N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCCN=C(N)N)CC1.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is HCMHTUQICXTHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-15-6-2-8(3-7-15)9(16)13-4-5-14-10(11)12/h8H,2-7H2,1H3,(H,13,16)(H4,11,12,14).
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 90084956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).