N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine

C16H34N4O2 — CID 71067138

IUPACN-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine
SMILESCCNCCCN1CCOC2(C1)CN(CCNCC)CCO2
InChIInChI=1S/C16H34N4O2/c1-3-17-6-5-8-19-10-12-21-16(14-19)15-20(11-13-22-16)9-7-18-4-2/h17-18H,3-15H2,1-2H3
InChIKeyHBMPXHCHTWEAJK-UHFFFAOYSA-N
MW314.47 g/mol
LogP-0.04
Rot. Bonds9

About N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine

N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine (PubChem CID 71067138) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine
PubChem CID71067138
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC NameN-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine
SMILESCCNCCCN1CCOC2(C1)CN(CCNCC)CCO2
InChIInChI=1S/C16H34N4O2/c1-3-17-6-5-8-19-10-12-21-16(14-19)15-20(11-13-22-16)9-7-18-4-2/h17-18H,3-15H2,1-2H3
InChIKeyHBMPXHCHTWEAJK-UHFFFAOYSA-N
XLogP-0.04
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine (CID 71067138) is N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine is CCNCCCN1CCOC2(C1)CN(CCNCC)CCO2.
What is the InChIKey of N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine?
The InChIKey is HBMPXHCHTWEAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-3-17-6-5-8-19-10-12-21-16(14-19)15-20(11-13-22-16)9-7-18-4-2/h17-18H,3-15H2,1-2H3.
What are the key properties of N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine?
N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine has a molecular weight of 314.47 g/mol, XLogP of -0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[2-(ethylamino)ethyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]propan-1-amine is sourced from PubChem (CID 71067138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).