(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane

C14H28N2 — CID 98114729

IUPAC(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)CCN1C[C@@]2(C)CNC[C@](C)(C1)C2
InChIInChI=1S/C14H28N2/c1-12(2)5-6-16-10-13(3)7-14(4,11-16)9-15-8-13/h12,15H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyVXEJACCJDQUKSR-ZIAGYGMSSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds3

About (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane

(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 98114729) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane
PubChem CID98114729
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCC(C)CCN1C[C@@]2(C)CNC[C@](C)(C1)C2
InChIInChI=1S/C14H28N2/c1-12(2)5-6-16-10-13(3)7-14(4,11-16)9-15-8-13/h12,15H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyVXEJACCJDQUKSR-ZIAGYGMSSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-1,5-dimethyl-3-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114731
3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 144899570
(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 98114726
2-(3-methylbutyl)-2,8-diazaspiro[4.5]decane
CID 82470794
3,3-diethyl-1-(3-methylbutyl)piperazine
CID 64833456
1,5-dimethyl-3-prop-1-en-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 90766101
4,4-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016694
3,3-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016778
3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
CID 64871531
3,3-dimethyl-1-(7-methyloctyl)piperazine
CID 107818461
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
1-(8-methylnonyl)piperazine
CID 170614920

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane (CID 98114729) is (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane is CC(C)CCN1C[C@@]2(C)CNC[C@](C)(C1)C2.
What is the InChIKey of (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is VXEJACCJDQUKSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)5-6-16-10-13(3)7-14(4,11-16)9-15-8-13/h12,15H,5-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane?
(1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 224.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-dimethyl-3-(3-methylbutyl)-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 98114729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).