N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine

C12H26N2O2 — CID 62562033

IUPACN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyHRTRPMSOMZQELT-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds11

About N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine

N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine (PubChem CID 62562033) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
PubChem CID62562033
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyHRTRPMSOMZQELT-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 18944978
CID 18944978
CID 50989307
CID 50989307
CID 61755832
CID 61755832
CID 3019741
CID 3019741
CID 61453019
CID 61453019
CID 62568426
CID 62568426
CID 62568586
CID 62568586
CID 522944
CID 522944
CID 7138381
CID 7138381
CID 21363277
CID 21363277
CID 21706019
CID 21706019
CID 28581493
CID 28581493

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine (CID 62562033) is N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine is COCCNCCCN(CCOC)C1CC1.
What is the InChIKey of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is HRTRPMSOMZQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 62562033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).