2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine

C17H36N2O — CID 114867512

IUPAC2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)CC1CCCCO1
InChIInChI=1S/C17H36N2O/c1-14(2)10-17(13-18,11-15(3)4)19(5)12-16-8-6-7-9-20-16/h14-16H,6-13,18H2,1-5H3
InChIKeyRWYHFTODAQVYTQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.28
Rot. Bonds8

About 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine

2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine (PubChem CID 114867512) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine
PubChem CID114867512
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)CC1CCCCO1
InChIInChI=1S/C17H36N2O/c1-14(2)10-17(13-18,11-15(3)4)19(5)12-16-8-6-7-9-20-16/h14-16H,6-13,18H2,1-5H3
InChIKeyRWYHFTODAQVYTQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylpropyl)oxane
CID 58653197
N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
CID 104681987
1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
2,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378602
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine (CID 114867512) is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)N(C)CC1CCCCO1.
What is the InChIKey of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is RWYHFTODAQVYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-14(2)10-17(13-18,11-15(3)4)19(5)12-16-8-6-7-9-20-16/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine?
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 114867512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).