N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine

C14H28N2 — CID 114816994

IUPACN',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
SMILESCN(C)CCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H28N2/c1-16(2)12-11-15-13-5-9-14(10-6-13)7-3-4-8-14/h13,15H,3-12H2,1-2H3
InChIKeyZMQWYGPYKCGEGG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

About N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine

N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine (PubChem CID 114816994) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
PubChem CID114816994
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine
SMILESCN(C)CCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C14H28N2/c1-16(2)12-11-15-13-5-9-14(10-6-13)7-3-4-8-14/h13,15H,3-12H2,1-2H3
InChIKeyZMQWYGPYKCGEGG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine (CID 114816994) is N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine is CN(C)CCNC1CCC2(CCCC2)CC1.
What is the InChIKey of N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
The InChIKey is ZMQWYGPYKCGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16(2)12-11-15-13-5-9-14(10-6-13)7-3-4-8-14/h13,15H,3-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine?
N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-spiro[4.5]decan-8-ylethane-1,2-diamine is sourced from PubChem (CID 114816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).