N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine

C14H32N2O — CID 63759731

IUPACN'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)CCOCCC(C)C
InChIInChI=1S/C14H32N2O/c1-5-14(6-2)16(9-8-15)10-12-17-11-7-13(3)4/h13-14H,5-12,15H2,1-4H3
InChIKeyMVBDIGGNRLGATR-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.50
Rot. Bonds11

About N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine

N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 63759731) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
PubChem CID63759731
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)CCOCCC(C)C
InChIInChI=1S/C14H32N2O/c1-5-14(6-2)16(9-8-15)10-12-17-11-7-13(3)4/h13-14H,5-12,15H2,1-4H3
InChIKeyMVBDIGGNRLGATR-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.50
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

N-[2-(2-aminoethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79478830
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
N-(2-chloroethyl)-N-[2-(2-methylpropoxy)ethyl]pentan-3-amine
CID 106457638
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
1-(3-methylbutoxy)pentan-3-amine
CID 62599909
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 43588449
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine (CID 63759731) is N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)CCOCCC(C)C.
What is the InChIKey of N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is MVBDIGGNRLGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-14(6-2)16(9-8-15)10-12-17-11-7-13(3)4/h13-14H,5-12,15H2,1-4H3.
What are the key properties of N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 63759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).