1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine

C14H30N2O — CID 113260390

IUPAC1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
SMILESCCC(NC(CN(C)C)C(C)C)C1CCOC1
InChIInChI=1S/C14H30N2O/c1-6-13(12-7-8-17-10-12)15-14(11(2)3)9-16(4)5/h11-15H,6-10H2,1-5H3
InChIKeyOJGKPUSENUCHAA-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds7

About 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine (PubChem CID 113260390) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
PubChem CID113260390
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
SMILESCCC(NC(CN(C)C)C(C)C)C1CCOC1
InChIInChI=1S/C14H30N2O/c1-6-13(12-7-8-17-10-12)15-14(11(2)3)9-16(4)5/h11-15H,6-10H2,1-5H3
InChIKeyOJGKPUSENUCHAA-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
N-(1-cyclopropylpropyl)-2-methylpentan-3-amine
CID 64917590
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
CID 115723659
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
CID 113260741
[3-ethyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229503
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
CID 117238102

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine (CID 113260390) is 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine is CCC(NC(CN(C)C)C(C)C)C1CCOC1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine?
The InChIKey is OJGKPUSENUCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-13(12-7-8-17-10-12)15-14(11(2)3)9-16(4)5/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine is sourced from PubChem (CID 113260390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).