CID 58998079

C10H21N3 — CID 58998079

IUPAC—
SMILES[CH]N(C)CCN1CCCN(C)CC1
InChIInChI=1S/C10H21N3/c1-11(2)7-9-13-6-4-5-12(3)8-10-13/h1H,4-10H2,2-3H3
InChIKeyHRQMEJLFPUOGFU-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.22
Rot. Bonds3

About CID 58998079

CID 58998079 (PubChem CID 58998079) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol.

Molecular Properties

Compound NameCID 58998079
PubChem CID58998079
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name—
SMILES[CH]N(C)CCN1CCCN(C)CC1
InChIInChI=1S/C10H21N3/c1-11(2)7-9-13-6-4-5-12(3)8-10-13/h1H,4-10H2,2-3H3
InChIKeyHRQMEJLFPUOGFU-UHFFFAOYSA-N
XLogP0.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
1,8-dimethyl-4,11-bis(2-methylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 102469908
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1,4-dimethyl-8,11-dipropyl-1,4,8,11-tetrazacyclotetradecane;nickel(2+);diperchlorate
CID 15774197
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779

Frequently Asked Questions

What is the IUPAC name of CID 58998079?
The IUPAC name of CID 58998079 (CID 58998079) is not available.
What is the SMILES notation for CID 58998079?
The canonical SMILES for CID 58998079 is [CH]N(C)CCN1CCCN(C)CC1.
What is the InChIKey of CID 58998079?
The InChIKey is HRQMEJLFPUOGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-11(2)7-9-13-6-4-5-12(3)8-10-13/h1H,4-10H2,2-3H3.
What are the key properties of CID 58998079?
CID 58998079 has a molecular weight of 183.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998079 is sourced from PubChem (CID 58998079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).