4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C16H29N5 — CID 107055928

IUPAC4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-13(2)15-9-17-16(7-5-4-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeySDKSYWHJEQUGQN-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds3

About 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 107055928) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID107055928
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-13(2)15-9-17-16(7-5-4-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeySDKSYWHJEQUGQN-UHFFFAOYSA-N
XLogP1.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64942380
9-[(5-bromo-3-pyridinyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 104812531
8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64934328
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
N,N-dimethyl-4-(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)butan-1-amine
CID 64946582

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 107055928) is 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1Cc1cn(C)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is SDKSYWHJEQUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13(2)15-9-17-16(7-5-4-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 291.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107055928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).