1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine

C13H28N2 — CID 115897250

IUPAC1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine
SMILESCCCCC(C)NC1CCC(N(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-11(2)14-12-8-9-13(10-12)15(3)4/h11-14H,5-10H2,1-4H3
InChIKeyRQWOTXIXJFDKMF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

About 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine

1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine (PubChem CID 115897250) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine
PubChem CID115897250
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine
SMILESCCCCC(C)NC1CCC(N(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-11(2)14-12-8-9-13(10-12)15(3)4/h11-14H,5-10H2,1-4H3
InChIKeyRQWOTXIXJFDKMF-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6486624
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CID 20063893
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CID 53534961
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CID 53642773
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CID 56698912
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CID 95434678
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CID 155100868
CID 155100868

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine?
The IUPAC name of 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine (CID 115897250) is 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine.
What is the SMILES notation for 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine?
The canonical SMILES for 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine is CCCCC(C)NC1CCC(N(C)C)C1.
What is the InChIKey of 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine?
The InChIKey is RQWOTXIXJFDKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-11(2)14-12-8-9-13(10-12)15(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine?
1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 115897250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).