N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine

C16H29F3N2 — CID 29767

IUPACN,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine
SMILESCN(C)CCCN1CCC2(CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C16H29F3N2/c1-20(2)9-4-10-21-11-7-15(8-12-21)6-3-5-14(13-15)16(17,18)19/h14H,3-13H2,1-2H3
InChIKeyBJDREZAXPCVNLF-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.77
Rot. Bonds4

About N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine

N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine (PubChem CID 29767) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine
PubChem CID29767
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine
SMILESCN(C)CCCN1CCC2(CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C16H29F3N2/c1-20(2)9-4-10-21-11-7-15(8-12-21)6-3-5-14(13-15)16(17,18)19/h14H,3-13H2,1-2H3
InChIKeyBJDREZAXPCVNLF-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine (CID 29767) is N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine is CN(C)CCCN1CCC2(CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine?
The InChIKey is BJDREZAXPCVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-20(2)9-4-10-21-11-7-15(8-12-21)6-3-5-14(13-15)16(17,18)19/h14H,3-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine?
N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine is sourced from PubChem (CID 29767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).