2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine

C14H32N2O — CID 81059026

IUPAC2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-14(4,12-15)16(5)10-11-17-13(2)3/h13H,6-12,15H2,1-5H3
InChIKeyJCOCBNQKRINUHS-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.64
Rot. Bonds10

About 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine

2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine (PubChem CID 81059026) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
PubChem CID81059026
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-14(4,12-15)16(5)10-11-17-13(2)3/h13H,6-12,15H2,1-5H3
InChIKeyJCOCBNQKRINUHS-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 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 ≤ 52.64
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

2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764
2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
CID 80558210
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-cyclopropyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 114276025
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine (CID 81059026) is 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine is CCCCCC(C)(CN)N(C)CCOC(C)C.
What is the InChIKey of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine?
The InChIKey is JCOCBNQKRINUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-7-8-9-14(4,12-15)16(5)10-11-17-13(2)3/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine?
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine is sourced from PubChem (CID 81059026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).