N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine

C14H32N2O — CID 43147077

IUPACN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)CC(C)(C)OC
InChIInChI=1S/C14H32N2O/c1-7-16(8-2)11-9-10-15-13(3)12-14(4,5)17-6/h13,15H,7-12H2,1-6H3
InChIKeyZTMFFTJINFINLC-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine

N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 43147077) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID43147077
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)CC(C)(C)OC
InChIInChI=1S/C14H32N2O/c1-7-16(8-2)11-9-10-15-13(3)12-14(4,5)17-6/h13,15H,7-12H2,1-6H3
InChIKeyZTMFFTJINFINLC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-4-(methylaminomethoxy)pentan-2-amine
CID 130251979
2-N,2,4-trimethyl-4-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]pentane-2,4-diamine
CID 134502931
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
CID 135299905
4-[2,4-Dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 142989908
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N,4-dimethyl-4-propoxypentan-2-amine
CID 156081274
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
4-[4-(dimethylamino)-2-methylbutan-2-yl]oxy-2-methyl-N-propan-2-ylbutan-2-amine
CID 170237295
N-ethyl-2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
CID 172314364
CID 19877445
CID 19877445
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013816

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine (CID 43147077) is N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine is CCN(CC)CCCNC(C)CC(C)(C)OC.
What is the InChIKey of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is ZTMFFTJINFINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-16(8-2)11-9-10-15-13(3)12-14(4,5)17-6/h13,15H,7-12H2,1-6H3.
What are the key properties of N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine?
N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-methoxy-4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 43147077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).