2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

C17H38N2O2 — CID 114867556

IUPAC2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O2/c1-15(2)12-17(14-18,13-16(3)4)19(9-11-21-6)8-7-10-20-5/h15-16H,7-14,18H2,1-6H3
InChIKeyCEPUUJVWYLONQN-UHFFFAOYSA-N
MW302.50 g/mol
LogP2.76
Rot. Bonds13

About 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867556) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867556
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Name2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C17H38N2O2/c1-15(2)12-17(14-18,13-16(3)4)19(9-11-21-6)8-7-10-20-5/h15-16H,7-14,18H2,1-6H3
InChIKeyCEPUUJVWYLONQN-UHFFFAOYSA-N
XLogP2.76
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867563
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-2,2-dimethylpropane-1,3-diamine
CID 62260121
2-ethyl-2-N-(3-methoxypropyl)-2-N-methylhexane-1,2-diamine
CID 63951842
2-N-(2-methoxyethyl)-2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 82948952
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
2-N,2-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butane-1,2-diamine
CID 104561127
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867556) is 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is COCCCN(CCOC)C(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is CEPUUJVWYLONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2/c1-15(2)12-17(14-18,13-16(3)4)19(9-11-21-6)8-7-10-20-5/h15-16H,7-14,18H2,1-6H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 302.50 g/mol, XLogP of 2.76, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).