N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride

C16H34Cl2N2 — CID 131886647

IUPACN,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
SMILESCC1CCC2(CC1)CCN(CCCN(C)C)CC2.Cl.Cl
InChIInChI=1S/C16H32N2.2ClH/c1-15-5-7-16(8-6-15)9-13-18(14-10-16)12-4-11-17(2)3;;/h15H,4-14H2,1-3H3;2*1H
InChIKeyHBVHMGYATNTLFQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.07
Rot. Bonds4

About N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride

N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride (PubChem CID 131886647) has the molecular formula C16H34Cl2N2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
PubChem CID131886647
Molecular FormulaC16H34Cl2N2
Molecular Weight325.37 g/mol
Exact Mass324.21
IUPAC NameN,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
SMILESCC1CCC2(CC1)CCN(CCCN(C)C)CC2.Cl.Cl
InChIInChI=1S/C16H32N2.2ClH/c1-15-5-7-16(8-6-15)9-13-18(14-10-16)12-4-11-17(2)3;;/h15H,4-14H2,1-3H3;2*1H
InChIKeyHBVHMGYATNTLFQ-UHFFFAOYSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
CID 134842907
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
[1-[3-(dimethylamino)propyl]-4-(methylamino)piperidin-4-yl]methanol
CID 117012027
1-[9-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 174255098
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
2-[3-(dimethylamino)propyl]-8-propyl-2-azaspiro[4.5]decane-7,9-dione
CID 139818604
(3R)-8-[3-(dimethylamino)propyl]-3-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 125495895
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
3,9-dimethylspiro[5.5]undecane
CID 20825106
N,N-dimethyl-2-(2-methyl-7-azaspiro[3.5]nonan-7-yl)ethanamine;ethane;2-methylbutane
CID 144959325

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride (CID 131886647) is N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride is CC1CCC2(CC1)CCN(CCCN(C)C)CC2.Cl.Cl.
What is the InChIKey of N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride?
The InChIKey is HBVHMGYATNTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.2ClH/c1-15-5-7-16(8-6-15)9-13-18(14-10-16)12-4-11-17(2)3;;/h15H,4-14H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride?
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride has a molecular weight of 325.37 g/mol, XLogP of 4.07, 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-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 131886647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).