N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine

C15H30N2O — CID 79897985

IUPACN',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(11-16)12-17(2)14-6-9-18-15(10-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyBTNYMCINLMKOMR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds4

About N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine

N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine (PubChem CID 79897985) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
PubChem CID79897985
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H30N2O/c1-13(11-16)12-17(2)14-6-9-18-15(10-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3
InChIKeyBTNYMCINLMKOMR-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine
CID 102639995
N'-cyclopentyl-N',2-dimethylpropane-1,3-diamine
CID 43266901
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine (CID 79897985) is N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine is CC(CN)CN(C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
The InChIKey is BTNYMCINLMKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(11-16)12-17(2)14-6-9-18-15(10-14)7-4-3-5-8-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79897985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).